Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.48 |
| ▸ | MAOB | P27338 | 2/20 | 0.48 |
| ▸ | NFE2L2 | Q16236 | 9/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | FBP1 | P09467 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Isophthalic Dicarboxaldehyde SCHEMBL3536987 | 0.87 | ALDH1A1 (0.47) | MAOAMAOBNPC1RAB9AALDH1A1 | |
| SCHEMBL24197 | 0.83 | — | — | |
| SCHEMBL1574019 | 0.83 | NFE2L2 (0.65) | MAOAMAOBNFE2L2PTGS1CYP1A2 | |
| SCHEMBL29359478 | 0.83 | — | — | |
| SCHEMBL18472616 | 0.83 | — | — | |
| Ammonia Solution, Strong SCHEMBL27509053 | 0.81 | NFE2L2 (0.62) | MAOAMAOBNFE2L2PTGS1CYP1A2 | |
| Hydrochloric Acid SCHEMBL29084496 | 0.81 | NFE2L2 (0.62) | MAOAMAOBNFE2L2PTGS1CYP1A2 | |
| Hydrochloric Acid SCHEMBL29768617 | 0.81 | NFE2L2 (0.62) | MAOAMAOBNFE2L2PTGS1CYP1A2 | |
| SCHEMBL10863616 | 0.81 | MAOA (0.49) | MAOAMAOBRELAPTGS1NPC1 | |
| SCHEMBL8458900 | 0.79 | NPC1 (0.55) | MAOAMAOBNFE2L2RELANPC1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0219852-B1 | CHARTREUSIN DERIVATIVES, SALTS THEREOF, ANTITUMOROUS COMPOSITIONS CONTAINING THE SAME, AND PROCESSES FOR PRODUCING THE SAME | ISHIHARA SANGYO KAISHA, LTD. (JP) | 1992-02-05 | — | — | EP | disclosed |
| US-5064945-A | Antitumor Agents | ISHIHARA SANGYO KAISHA, LTD. (JP) | 1991-11-12 | — | — | US | disclosed |
| US-4927919-A | ANTITUMOR AGENTS | ISHIHARA SANGYO KAISHA, LTD. (JP) | 1990-05-22 | — | — | US | disclosed |
| EP-0159708-B1 | CHARTREUSIN DERIVATIVES, SALTS THEREOF, ANTITUMOROUS COMPOSITIONS CONTAINING THE SAME, AND PROCESSES FOR PRODUING THE SAME | ISHIHARA SANGYO KAISHA, LTD. (JP) | 1989-12-13 | — | — | EP | disclosed |
| US-4760136-A | Chartreusin derivatives and salts thereof | ISHIHARA SANGYO KAISHA, LTD. (JP) | 1988-07-26 | — | — | US | disclosed |
| EP-0219852-A2 | Chartreusin derivatives, salts thereof, antitumorous compositions containing the same, and processes for producing the same | ISHIHARA SANGYO KAISHA, LTD. (JP) | 1987-04-29 | — | — | EP | disclosed |
| EP-0159708-A2 | Chartreusin derivatives, salts thereof, antitumorous compositions containing the same, and processes for produing the same | ISHIHARA SANGYO KAISHA, LTD. (JP) | 1985-10-30 | — | — | EP | disclosed |