Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.65 |
| ▸ | CASP7 | P55210 | 3/20 | 0.65 |
| ▸ | NPC1 | O15118 | 2/20 | 0.65 |
| ▸ | TP53 | P04637 | 2/20 | 0.65 |
| ▸ | CASP1 | P29466 | 2/20 | 0.65 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.65 |
| ▸ | POLB | P06746 | 1/20 | 0.65 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | NQO2 | P16083 | 3/20 | 0.45 |
| ▸ | PTGES | O14684 | 7/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8832011 | 0.84 | NPC1 (0.71) | RAB9ACASP7NPC1TP53CASP1 | |
| SCHEMBL29572859 | 0.79 | RAB9A (1.00) | RAB9ACASP7NPC1TP53CASP1 | |
| SCHEMBL278729 | 0.79 | RAB9A (1.00) | RAB9ACASP7NPC1TP53CASP1 | |
| SCHEMBL3257680 | 0.76 | NPC1 (0.58) | RAB9ACASP7NPC1TP53CASP1 | |
| SCHEMBL9436884 | 0.75 | RAB9A (0.62) | RAB9ACASP7NPC1TP53CASP1 | |
| SCHEMBL16945136 | 0.73 | NQO2 (0.55) | MAPTMAPK1NQO2KDM4EALDH1A1 | |
| SCHEMBL13647624 | 0.73 | NQO2 (0.55) | MAPTMAPK1NQO2PTGESPDPK1 | |
| SCHEMBL14092955 | 0.73 | PTGES (0.37) | CYP2C19CYP3A4CYP2C9MAPK1PTGES | |
| SCHEMBL14092954 | 0.73 | MAPT (0.40) | POLBMAPTCYP2C19CYP3A4CYP2C9 | |
| SCHEMBL9706105 | 0.72 | MAPK1 (0.51) | RAB9ACASP7NPC1TP53CASP1 |
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 |