Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 11/20 | 0.50 |
| ▸ | RAB9A | P51151 | 11/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | APEX1 | P27695 | 1/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6831252 | 0.89 | ALDH1A1 (0.46) | NPC1RAB9AALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL6923514 | 0.87 | ALDH1A1 (0.47) | NPC1RAB9AALDH1A1TSHRKDM4E | |
| SCHEMBL7132970 | 0.84 | SMN1; SMN2 (0.51) | NPC1RAB9AALDH1A1TSHRKDM4E | |
| SCHEMBL6926049 | 0.84 | HSD17B10 (0.57) | NPC1RAB9AALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL6829615 | 0.83 | ALDH1A1 (0.50) | NPC1RAB9AALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL7133523 | 0.83 | NPC1 (0.60) | NPC1RAB9AALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL28720819 | 0.82 | ALDH1A1 (0.50) | NPC1RAB9AALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL6919445 | 0.80 | MAOB (0.44) | NPC1RAB9AALDH1A1TSHRKMT2A | |
| SCHEMBL721921 | 0.79 | ALDH1A1 (0.57) | NPC1RAB9AALDH1A1TSHRKDM4E | |
| SCHEMBL29398865 | 0.78 | ALDH1A1 (0.55) | NPC1RAB9AALDH1A1TSHRKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004037808-A1 | 2 - SUBSTITUTED HETEROCYCLIC COMPOUNDS AND ANTITUMOR COMPOSITION COMPRISING THE SAME | CHONG KUN DANG PHARMACEUTICAL CORP. (KR) | 2004-05-06 | — | — | WO | disclosed |