Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.69 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA9 | Q16790 | 2/20 | 0.55 |
| ▸ | MAOA | P21397 | 1/20 | 0.55 |
| ▸ | MAOB | P27338 | 1/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | MPO | P05164 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL2992964 | 0.83 | ALDH1A1 (1.00) | ALDH1A1TP53CA1CA9MAOA | |
| SCHEMBL6964298 | 0.79 | MAPT (0.61) | ALDH1A1CA1CA9PTGS2KDM4E | |
| SCHEMBL27655822 | 0.79 | ALDH1A1 (0.75) | ALDH1A1TP53CA1CA9MAOA | |
| SCHEMBL14855270 | 0.79 | ALDH1A1 (0.61) | ALDH1A1TP53CA1CA9MAOA | |
| SCHEMBL10406166 | 0.78 | HDAC1 (0.61) | ALDH1A1CYP3A4CYP2C19GAALMNA | |
| SCHEMBL2999107 | 0.78 | ALDH1A1 (0.60) | ALDH1A1TP53CA1CA9MAOA | |
| SCHEMBL2988323 | 0.77 | ALDH1A1 (0.86) | ALDH1A1TP53CA1CA9MAOA | |
| SCHEMBL8681380 | 0.76 | ALDH1A1 (0.57) | ALDH1A1KDM4EGAALMNAL3MBTL1 | |
| SCHEMBL18745918 | 0.76 | TPMT (0.45) | ALDH1A1CA1KDM4ECYP1A2CYP2D6 | |
| SCHEMBL16312774 | 0.76 | LMNA (0.52) | ALDH1A1CA1CA9KDM4EMPO |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108250184-A | A kind of intermediate of Topiroxostat and preparation method thereof and the method that Topiroxostat is prepared by the intermediate | 北京诚济制药有限公司 | 2018-07-06 | — | — | CN | disclosed |
| CN-107573330-A | A kind of preparation method of Topiroxostat | 河北中医学院 | 2018-01-12 | — | — | CN | disclosed |
| US-8809547-B2 | Heterocyclic compounds as pesticides | BAYER CROPSCIENCE AG (DE) | 2014-08-19 | — | — | US | disclosed |
| US-20110212949-A1 | Heterocyclic Compounds as Pesticides | BAYER CROPSCIENCE AG | 2011-09-01 | — | — | US | disclosed |
| US-20100184811-A1 | ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS | BRIDGE BIORESEARCH RIGHTS (JERSEY) LIMITED (GB) | 2010-07-22 | — | — | US | disclosed |
| EP-2068873-A2 | ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS | Pharma 2100 (DK) | 2009-06-17 | — | — | EP | disclosed |
| WO-2008031440-A2 | ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS | PHARMA 2100 (DK) | 2008-03-20 | — | — | WO | disclosed |
| US-6846933-B1 | Antimycobacterial compounds and method for making the same | THE BOARD OF TRUSTEES OF WELLESLEY COLLEGE (US) | 2005-01-25 | — | — | US | disclosed |
| WO-2002043668-A2 | ANTIMYCOBACTERIAL COMPOUNDS AND METHOD FOR MAKING THE SAME | WELLESLEY COLLEGE (US) | 2002-06-06 | — | — | 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 (2 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-20100184811-A1 | ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS | ODC1, OTC, ACACB | ALDH1A1 302/4885TP53 2283/4885CA1 2581/4885 |
| US-20110212949-A1 | Heterocyclic Compounds as Pesticides | DDT, ACHE, PTMS | ALDH1A1 1709/4885TP53 3267/4885CA1 1715/4885 |
“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.