Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 2/20 | 0.33 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9470717 | 1.00 | ROCK1 (0.34) | ROCK1CES1MAP3K14KDM4EMEN1 | |
| SCHEMBL9471369 | 0.82 | CES1 (0.35) | ROCK1CES1MAP3K14KDM4EMEN1 | |
| SCHEMBL8938695 | 0.82 | CES1 (0.41) | ROCK1CES1KDM4EMEN1ALDH1A1 | |
| SCHEMBL10623452 | 0.70 | ROCK1 (0.34) | ROCK1CES1MAP3K14KDM4EMEN1 | |
| SCHEMBL10623710 | 0.68 | CSNK1G1 (0.44) | CES1ALDH1A1GAAMAPTPARP1 | |
| SCHEMBL9470745 | 0.68 | CES1 (0.35) | CES1KDM4EMEN1ALDH1A1GAA | |
| SCHEMBL9471954 | 0.67 | KCNN4 (0.37) | ROCK1CES1MAP3K14SRD5A1 | |
| Hydrochloric Acid SCHEMBL9470756 | 0.66 | ROCK1 (0.33) | ROCK1CES1MAP3K14 | |
| SCHEMBL9470927 | 0.65 | HSP90AA1 (0.39) | ROCK1CES1MAP3K14KDM4EMEN1 | |
| SCHEMBL9470642 | 0.65 | GABRA1 (0.38) | ROCK1CES1MAP3K14KDM4EMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5015738-A | Analgesics | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1991-05-14 | — | — | US | claimed |
| US-5189161-A | Analgesics | HOECHST ROUSSEL PHARMACEUTICALS INC. (US) | 1993-02-23 | — | — | US | disclosed |
| US-5015738-A | Analgesics | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1991-05-14 | — | — | US | disclosed |
| EP-0412470-A2 | Benzo[b]pyrrolo[3,2,1-jk]benzodiazepines, a process and intermediates for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1991-02-13 | — | — | EP | disclosed |
| US-4983601-A | Analgesics | HOECHST-ROUSSEL PHARMACEUTICAL INC. (US) | 1991-01-08 | — | — | US | disclosed |