Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.50 |
| ▸ | NPC1 | O15118 | 7/20 | 0.50 |
| ▸ | RAB9A | P51151 | 7/20 | 0.50 |
| ▸ | HPGD | P15428 | 5/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.49 |
| ▸ | GCGR | P47871 | 1/20 | 0.49 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.49 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.49 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.49 |
| ▸ | PDE5A | O76074 | 2/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.44 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.44 |
| ▸ | LDHA | P00338 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.44 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL784353 | 0.82 | NPC1 (0.66) | ALDH1A1KDM4ENPC1RAB9AHPGD | |
| SCHEMBL29825055 | 0.82 | NPC1 (0.66) | ALDH1A1KDM4ENPC1RAB9AHPGD | |
| SCHEMBL31677102 | 0.82 | NPC1 (0.66) | ALDH1A1KDM4ENPC1RAB9AHPGD | |
| Benzene SCHEMBL29179821 | 0.81 | RAB9A (0.64) | ALDH1A1KDM4ENPC1RAB9AHPGD | |
| SCHEMBL9635867 | 0.80 | F7 (0.56) | ALDH1A1KDM4ENPC1RAB9AHPGD | |
| SCHEMBL9838273 | 0.80 | ALDH1A1 (0.69) | ALDH1A1KDM4ENPC1RAB9AHPGD | |
| SCHEMBL7272117 | 0.80 | ALDH1A1 (0.69) | ALDH1A1KDM4ENPC1RAB9AHPGD | |
| SCHEMBL10416988 | 0.80 | ALDH1A1 (0.69) | ALDH1A1KDM4ENPC1RAB9AHPGD | |
| SCHEMBL10962037 | 0.80 | PDE5A (0.50) | ALDH1A1KDM4ENPC1RAB9AHPGD | |
| SCHEMBL10963707 | 0.80 | KDM4E (0.42) | ALDH1A1KDM4ENPC1RAB9AHPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0821675-A1 | NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-02-04 | — | — | EP | disclosed |
| WO-1996033176-A1 | NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-10-24 | — | — | WO | disclosed |