Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.77 |
| ▸ | RAB9A | P51151 | 6/20 | 0.77 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.62 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.62 |
| ▸ | GLA | P06280 | 1/20 | 0.62 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.62 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.62 |
| ▸ | RELA | Q04206 | 1/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.56 |
| ▸ | DRD4 | P21917 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.55 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.55 |
| ▸ | EGFR | P00533 | 1/20 | 0.55 |
| ▸ | KDR | P35968 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL28351543 | 0.90 | NPC1 (0.71) | NPC1RAB9AALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL14019455 | 0.88 | NPC1 (0.77) | NPC1RAB9AALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL14019454 | 0.86 | NPC1 (0.69) | NPC1RAB9AALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL20795066 | 0.86 | NPC1 (0.78) | NPC1RAB9AALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL14141391 | 0.86 | NPC1 (0.73) | NPC1RAB9AALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL718420 | 0.85 | NPC1 (0.60) | NPC1RAB9AALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL5804153 | 0.84 | NPC1 (0.56) | NPC1RAB9AALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL18039628 | 0.84 | NPC1 (0.56) | NPC1RAB9AALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL718714 | 0.84 | NPC1 (0.56) | NPC1RAB9AALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL16635022 | 0.82 | NPC1 (0.58) | NPC1RAB9AALDH1A1SMN1; SMN2NPSR1 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9226505-B2 | 4-substituted 1-phenylpyrazole-3-carboxylic acid derivatives as agents against abiotic plant stress | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2016-01-05 | — | — | US | disclosed |
| EP-2753604-B1 | PDE10 MODULATORS | HOFFMANN LA ROCHE (CH) | 2015-08-19 | — | — | EP | disclosed |
| US-20140329684-A1 | USE OF 4-SUBSTITUTED 1-PHENYLPYRAZOLE-3-CARBOXYLIC ACID DERIVATIVES AS AGENTS AGAINST ABIOTIC PLANT STRESS | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-11-06 | — | — | US | disclosed |
| US-8772510-B2 | PDE10 modulators | HOFFMANN-LA ROCHE INC. (US) | 2014-07-08 | — | — | US | disclosed |
| WO-2013034506-A1 | PDE10 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-03-14 | — | — | WO | disclosed |
| US-20130059833-A1 | PDE10 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-03-07 | — | — | US | disclosed |
| US-20090286791-A1 | Amide Compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-11-19 | — | — | US | disclosed |
| US-20090286791-A1 | Amide Compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-11-19 | — | — | US | disclosed |
| US-20090286791-A1 | Amide Compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-11-19 | — | — | US | disclosed |
| EP-2044055-A2 | AMIDE COMPOUNDS | Takeda Pharmaceutical Company Limited (JP) | 2009-04-08 | — | — | EP | disclosed |
| WO-2008011131-A2 | AMIDE COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-01-24 | — | — | WO | disclosed |
| WO-2008011131-A2 | AMIDE COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-01-24 | — | — | WO | disclosed |
| EP-1633348-A1 | 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES | Elan Pharmaceuticals, Inc. (US) | 2006-03-15 | — | — | EP | disclosed |
| WO-2004098589-A1 | 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES | ELAN PHARMACEUTICALS, INC. (US) | 2004-11-18 | — | — | 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 (3 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-20140329684-A1 | USE OF 4-SUBSTITUTED 1-PHENYLPYRAZOLE-3-CARBOXYLIC ACID DERIVATIVES AS AGENTS AGAINST ABIOTIC PLANT STRESS | HPD, HSF1, PDK4 | NPC1 3861/4885RAB9A 3344/4885ALDH1A1 139/4885 |
| US-20090286791-A1 | Amide Compounds | DLAT, DGAT2, DGAT1 | NPC1 214/4885RAB9A 2100/4885ALDH1A1 231/4885 |
| US-20130059833-A1 | PDE10 MODULATORS | PDE10A, PDE5A, PDE2A | NPC1 2474/4885RAB9A 109/4885ALDH1A1 775/4885 |
“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.