Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL151590 | 0.84 | ALDH1A1 (0.59) | ALDH1A1NPC1RAB9AGRM4AURKA | |
| Hydrochloric Acid SCHEMBL10746200 | 0.81 | ALDH1A1 (0.57) | ALDH1A1NPC1RAB9AGRM4AURKA | |
| SCHEMBL6401649 | 0.77 | ALDH1A1 (0.53) | ALDH1A1NPC1RAB9AGRM4AURKA | |
| SCHEMBL10365909 | 0.76 | ALDH1A1 (0.52) | ALDH1A1NPC1RAB9AGRM4AURKA | |
| SCHEMBL754480 | 0.76 | NUDT1 (0.61) | ALDH1A1NPC1RAB9AGRM4NUDT1 | |
| SCHEMBL13063222 | 0.76 | LMNA (0.50) | ALDH1A1NPC1RAB9ALMNASMN1; SMN2 | |
| SCHEMBL2725516 | 0.75 | — | — | |
| SCHEMBL8448250 | 0.74 | KMT2A (0.51) | ALDH1A1NPC1RAB9AGRM4AURKA | |
| SCHEMBL154744 | 0.74 | KMT2A (0.55) | ALDH1A1NPC1RAB9AGRM4LMNA | |
| Urea SCHEMBL28429513 | 0.74 | ALDH1A1 (0.50) | ALDH1A1NPC1RAB9AGRM4AURKA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003024448-A2 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE, INC. (CA) | 2003-03-27 | — | — | WO | disclosed |
| EP-0161905-B1 | HERBICIDAL HALOPYRIMIDINES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-08-01 | — | — | EP | disclosed |
| US-4659361-A | PLANT GROWTH REGULATORS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1987-04-21 | — | — | US | disclosed |
| EP-0161905-A2 | Herbicidal halopyrimidines | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1985-11-21 | — | — | EP | disclosed |