Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NQO1 | P15559 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 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 | |
|---|---|---|---|---|
| SCHEMBL1235239 | 0.83 | NQO1 (0.58) | TSHRNQO1TDP1GAACA12 | |
| SCHEMBL1448749 | 0.82 | PTGS1 (0.53) | TSHRNPC1MAPTRAB9ANQO1 | |
| SCHEMBL6561661 | 0.81 | KDM4E (0.59) | MEN1NPC1MAPTKMT2ATDP1 | |
| SCHEMBL2294721 | 0.81 | TP53 (0.50) | TSHRALDH1A1NQO1TDP1KDM4E | |
| SCHEMBL10017495 | 0.80 | CYP1A2 (0.57) | TSHRMEN1NPC1KMT2ANQO1 | |
| SCHEMBL11273634 | 0.79 | CYP1A2 (0.50) | NPC1MAPTRAB9ANQO1TDP1 | |
| SCHEMBL29629327 | 0.79 | NQO1 (0.68) | TSHRMEN1NPC1ALDH1A1MAPT | |
| SCHEMBL3825385 | 0.79 | NQO1 (0.68) | TSHRMEN1NPC1ALDH1A1MAPT | |
| SCHEMBL8875156 | 0.79 | ALOX5 (0.65) | MEN1NPC1MAPTRAB9AKMT2A | |
| SCHEMBL5154682 | 0.79 | NQO1 (0.52) | TSHRMEN1NPC1ALDH1A1MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0807098-B1 | IMPROVED PROCESS FOR REDUCTIVE HYDROLYSIS OF NITRILES | DU PONT (US) | 1998-09-09 | — | — | EP | disclosed |
| US-5741955-A | TRANSITION METAL COMPLEX CATALYST | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1998-04-21 | — | — | US | disclosed |
| EP-0807098-A1 | IMPROVED PROCESS FOR REDUCTIVE HYDROLYSIS OF NITRILES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1997-11-19 | — | — | EP | disclosed |
| WO-1996023753-A1 | IMPROVED PROCESS FOR REDUCTIVE HYDROLYSIS OF NITRILES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1996-08-08 | — | — | WO | disclosed |