Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | SCN1A | P35498 | 1/20 | 0.51 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.51 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | GAA | P10253 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL5925497 | 0.95 | ALDH1A1 (0.62) | ALDH1A1HTR4LMNACYP1A2CYP3A4 | |
| SCHEMBL4001016 | 0.87 | CYP1A2 (0.58) | ALDH1A1HTR4LMNACYP1A2CYP3A4 | |
| SCHEMBL1671606 | 0.87 | LMNA (0.53) | ALDH1A1LMNACYP1A2CYP3A4MAOA | |
| SCHEMBL12392710 | 0.85 | CYP1A2 (0.60) | ALDH1A1HTR4LMNACYP1A2CYP3A4 | |
| SCHEMBL16005488 | 0.84 | CYP1A2 (0.50) | ALDH1A1HTR4LMNACYP1A2CYP3A4 | |
| SCHEMBL9826483 | 0.83 | KMT2A (0.52) | ALDH1A1LMNACYP1A2CYP3A4HSD17B2 | |
| SCHEMBL5925544 | 0.83 | CYP1A2 (0.72) | ALDH1A1HTR4LMNACYP1A2CYP3A4 | |
| SCHEMBL224165 | 0.83 | ALDH1A1 (0.71) | ALDH1A1HTR4MAPTGAAHSD17B10 | |
| SCHEMBL2888716 | 0.83 | TSHR (0.60) | ALDH1A1LMNACYP1A2CYP3A4MAOA | |
| SCHEMBL7488349 | 0.82 | KMT2A (0.67) | ALDH1A1LMNAGAAMEN1KMT2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060110743-A1 | Drug evolution: drug design at hot spots | KONISHI YASUO | 2006-05-25 | — | — | US | claimed |
| WO-2002095393-A2 | DRUG EVOLUTION: DRUG DESIGN AT HOT SPOTS | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 2002-11-28 | — | — | WO | claimed |
| CN-102827082-B | Thienopyrazole derivative having PDE7 inhibitory activity | DAIICHI SANKYO CO LTD | 2015-01-07 | — | — | CN | disclosed |
| US-8901315-B2 | Thienopyrazole derivative having PDE7 inhibitory activity | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2014-12-02 | — | — | US | disclosed |
| US-20140073799-A1 | THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2014-03-13 | — | — | US | disclosed |
| EP-1775298-B1 | THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY | DAIICHI SANKYO CO LTD (JP) | 2013-03-20 | — | — | EP | disclosed |
| CN-102827082-A | Thienopyrazole derivative having PDE7 inhibitory activity | DAIICHI SANKYO CO LTD | 2012-12-19 | — | — | CN | disclosed |
| US-20120232104-A1 | NOVEL SULFONAMIDES AS L-CPT1 INHIBITORS | BLEICHER KONRAD (DE) | 2012-09-13 | — | — | US | disclosed |
| CN-1976938-B | Thienopyrazole derivatives having PDE7 inhibitory activity | DAIICHI SANKYO CO LTD | 2012-08-15 | — | — | CN | disclosed |
| EP-2433943-A1 | Thienopyrazole derivatives having PDE7 inhibitory activity | Daiichi Sankyo Company, Limited (JP) | 2012-03-28 | — | — | EP | disclosed |
| EP-1996563-B1 | HETEROBICYCLIC SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES | HOFFMANN LA ROCHE (CH) | 2012-03-21 | — | — | EP | disclosed |
| US-20070191603-A1 | Novel bicyclic sulfonamide derivatives which are L-CPT1 inhibitors | F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) | 2007-08-16 | — | — | US | disclosed |
| WO-2007081335-A1 | THERAPEUTIC COMPOUNDS FOR TREATING DYSLIPIDEMIC CONDITIONS | MERCK & CO., INC. (US) | 2007-07-19 | — | — | WO | disclosed |
| CN-1976938-A | Thienopyrazole derivatives having PDE7 inhibitory activity | ASUBIO PHARMA CO LTD (JP) | 2007-06-06 | — | — | CN | disclosed |
| US-20070117842-A1 | Polymorph of 4-[3-chloro-4-(cyclopropylaminocarbonyl)aminophenoxy]-7-methoxy-6- quinolinecarboxamide and a process for the preparation of the same | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2007-05-24 | — | — | US | disclosed |
| EP-1775298-A1 | THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY | Daiichi Asubio Pharma Co., Ltd. (JP) | 2007-04-18 | — | — | EP | disclosed |
| WO-2006131452-A1 | SULFONAMIDE DERIVATIVES USEFUL AS LIVER CARNITINE PALMITOYL TRANSFERASE (L-CPTl) INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-12-14 | — | — | WO | disclosed |
| US-20060276494-A1 | Novel sulfonamides as L-CPT1 inhibitors | F. HOFFMANN-LA ROCHE AG (CH) | 2006-12-07 | — | — | US | disclosed |
| US-20060110743-A1 | Drug evolution: drug design at hot spots | KONISHI YASUO | 2006-05-25 | — | — | US | disclosed |
| WO-2002095393-A2 | DRUG EVOLUTION: DRUG DESIGN AT HOT SPOTS | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 2002-11-28 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20140073799-A1 | THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY | PDE7A, PDE7B, PDE3B | ALDH1A1 2864/4885HTR4 973/4885LMNA 4644/4885 |
| US-20060276494-A1 | Novel sulfonamides as L-CPT1 inhibitors | CPT1A, CPT1B, CPT2 | ALDH1A1 216/4885HTR4 2735/4885LMNA 3524/4885 |
| US-20120232104-A1 | NOVEL SULFONAMIDES AS L-CPT1 INHIBITORS | CPT1A, CPT1B, CPT2 | ALDH1A1 216/4885HTR4 2735/4885LMNA 3524/4885 |
| US-20070117842-A1 | Polymorph of 4-[3-chloro-4-(cyclopropylaminocarbonyl)aminophenoxy]-7-methoxy-6- quinolinecarboxamide and a process for the preparation of the same | CYP3A4, CYP3A7, CYP2D6 | ALDH1A1 3067/4885HTR4 112/4885LMNA 526/4885 |
| US-20070191603-A1 | Novel bicyclic sulfonamide derivatives which are L-CPT1 inhibitors | CPT1A, CPT1B, CPT2 | ALDH1A1 324/4885HTR4 3948/4885LMNA 3212/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.