Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.71 |
| ▸ | TP53 | P04637 | 2/20 | 0.71 |
| ▸ | CASP1 | P29466 | 2/20 | 0.71 |
| ▸ | RAB9A | P51151 | 2/20 | 0.71 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.71 |
| ▸ | CASP7 | P55210 | 2/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.71 |
| ▸ | POLB | P06746 | 2/20 | 0.71 |
| ▸ | MAPT | P10636 | 8/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.69 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.69 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.69 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.69 |
| ▸ | AURKA | O14965 | 2/20 | 0.55 |
| ▸ | PLK4 | O00444 | 1/20 | 0.55 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.55 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.55 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.55 |
| ▸ | CDK1 | P06493 | 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 | |
|---|---|---|---|---|
| SCHEMBL8832004 | 0.84 | RAB9A (0.65) | NPC1TP53CASP1RAB9AMAPK10 | |
| SCHEMBL278729 | 0.84 | RAB9A (1.00) | NPC1TP53CASP1RAB9AMAPK10 | |
| SCHEMBL29572859 | 0.84 | RAB9A (1.00) | NPC1TP53CASP1RAB9AMAPK10 | |
| SCHEMBL8832035 | 0.82 | NPC1 (0.71) | NPC1TP53CASP1RAB9AMAPK10 | |
| SCHEMBL278691 | 0.80 | NPC1 (0.72) | NPC1TP53CASP1RAB9AMAPK10 | |
| SCHEMBL9436882 | 0.80 | NPC1 (0.72) | NPC1TP53CASP1RAB9AMAPK10 | |
| SCHEMBL9706300 | 0.78 | MAPK1 (0.48) | NPC1TP53CASP1RAB9AMAPK10 | |
| SCHEMBL3257675 | 0.77 | MAPK9 (0.70) | NPC1TP53CASP1RAB9AMAPK10 | |
| SCHEMBL2112432 | 0.77 | NPC1 (0.55) | NPC1TP53CASP1RAB9AMAPK10 | |
| SCHEMBL9706105 | 0.76 | MAPK1 (0.51) | NPC1TP53CASP1RAB9AMAPK10 |
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 |
|---|---|---|---|---|---|---|---|
| US-5597921-A | ANTITUMOR AGENTS, TREATMENT OF LEUKEMIA | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 1997-01-28 | — | — | US | disclosed |
| EP-0695754-A1 | INDOLO 2,3-b]QUINOXALINE DERIVATIVE | TAISHO PHARMACEUTICAL CO. LTD (JP) | 1996-02-07 | — | — | EP | disclosed |