Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 1/20 | 0.45 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | ATM | Q13315 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | ALPI | P09923 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | XIAP | P98170 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10782936 | 0.82 | KIF11 (0.53) | ALDH1A1HIF1AMDM2TDP1L3MBTL1 | |
| SCHEMBL2460853 | 0.82 | MDM2 (0.46) | MAPK1ALDH1A1HIF1AMDM2TDP1 | |
| SCHEMBL13116471 | 0.81 | SLC6A2 (0.53) | MAPK1MDM2TDP1L3MBTL1CES1 | |
| SCHEMBL9273514 | 0.81 | MDM2 (0.44) | MAPK1ALDH1A1HIF1AMDM2TDP1 | |
| SCHEMBL12698767 | 0.81 | CYP1A2 (0.52) | MAPK1ALDH1A1MDM2TDP1L3MBTL1 | |
| SCHEMBL2460854 | 0.79 | TDP1 (0.50) | MAPK1ALDH1A1HIF1ATRPA1GSK3B | |
| SCHEMBL29634956 | 0.79 | BLM (0.53) | MAPK1ALDH1A1HIF1AMDM2TDP1 | |
| SCHEMBL9630987 | 0.79 | GSR (0.47) | MAPK1MDM2TDP1L3MBTL1CES1 | |
| SCHEMBL10591572 | 0.79 | POLB (0.51) | MDM2TDP1ALPIPKMPTGS1 | |
| SCHEMBL9755844 | 0.79 | POLB (0.51) | MDM2TDP1ALPIPKMPTGS1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1189905-A1 | SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES | Bristol-Myers Squibb Pharma Company (US) | 2002-03-27 | — | — | EP | disclosed |
| WO-2000077001-A1 | SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-12-21 | — | — | WO | disclosed |
| EP-0325247-B1 | CAMPTOTHECIN DERIVATIVES AND PROCESS FOR PREPARING SAME | KABUSHIKI KAISHA YAKULT HONSHA (JP) | 1993-05-19 | — | — | EP | disclosed |
| US-5061800-A | ANTITUMOR AGENTS | KABUSHIKI KAISHA YAKULT HONSHA (JP) | 1991-10-29 | — | — | US | disclosed |
| EP-0325247-A1 | Camptothecin derivatives and process for preparing same | KABUSHIKI KAISHA YAKULT HONSHA (JP) | 1989-07-26 | — | — | EP | disclosed |