Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | BCHE | P06276 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | METAP2 | P50579 | 1/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.46 |
| ▸ | KMO | O15229 | 2/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL28963415 | 0.88 | NPC1 (0.66) | NPC1RAB9AIDO1CASP3SENP7 | |
| SCHEMBL26350955 | 0.88 | NPC1 (0.56) | NPC1RAB9ABCHEACHEIDO1 | |
| SCHEMBL3826270 | 0.86 | NPC1 (0.64) | NPC1RAB9AACHECASP3SENP7 | |
| SCHEMBL27994159 | 0.86 | NPC1 (0.51) | NPC1RAB9ACASP3SENP7CYP2A6 | |
| SCHEMBL28934094 | 0.84 | NPC1 (0.59) | NPC1RAB9AIDO1CASP3SENP7 | |
| SCHEMBL14505861 | 0.83 | NPC1 (0.58) | NPC1RAB9ACASP3SENP7CYP2A6 | |
| SCHEMBL3831108 | 0.79 | CYP2A6 (0.45) | NPC1RAB9ACASP3SENP7CYP2A6 | |
| SCHEMBL3422110 | 0.79 | IDO1 (0.58) | NPC1RAB9ABCHEACHEIDO1 | |
| SCHEMBL24756252 | 0.79 | CYP2A6 (0.46) | NPC1RAB9ACASP3SENP7CYP2A6 | |
| SCHEMBL12797772 | 0.78 | CYP3A4 (0.59) | NPC1RAB9ABCHEACHEIDO1 |
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-2099765-A2 | 5, 6, OR 7-SUBSTITUTED-3-(HETERO)ARYLISOQUINOLINAMINE DERIVATIVES AS ANTITUMOR AGENTS | Rexahn Pharmaceuticals, Inc. (US) | 2009-09-16 | — | — | EP | disclosed |
| WO-2008063548-A2 | 5, 6, OR 7-SUBSTITUTED-S- (HETERO)ARYLISOQUINOLINAMINE DERIVATIVES AS ANTITUMOR AGENTS | REXAHN PHARMACEUTICALS, INC. (US) | 2008-05-29 | — | — | WO | disclosed |