Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.56 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | MIF | P14174 | 4/20 | 0.42 |
| ▸ | MAOB | P27338 | 3/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.37 |
| ▸ | STK17B | O94768 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | S100A4 | P26447 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11761145 | 0.83 | AKR1B1 (0.55) | AKR1B1MAPK14ACHEMIFMAOB | |
| SCHEMBL11654836 | 0.81 | AKR1B1 (0.50) | AKR1B1MAPK14ACHEMIFMAOB | |
| SCHEMBL11654267 | 0.80 | AKR1B1 (0.68) | AKR1B1MAPK14ACHEMIFMAOB | |
| SCHEMBL86279 | 0.79 | ACHE (0.59) | AKR1B1MAPK14ACHEMIFMAOB | |
| SCHEMBL31510701 | 0.79 | ACHE (0.59) | AKR1B1MAPK14ACHEMIFMAOB | |
| SCHEMBL31123671 | 0.79 | ACHE (0.59) | AKR1B1MAPK14ACHEMIFMAOB | |
| SCHEMBL4231216 | 0.79 | MAPK14 (0.62) | AKR1B1MAPK14ACHEMAOBMAOA | |
| Hydrochloric Acid SCHEMBL4232797 | 0.78 | MAPK14 (0.61) | AKR1B1MAPK14ACHEMAOBMAOA | |
| SCHEMBL11655197 | 0.77 | AKR1B1 (0.51) | AKR1B1MAPK14ACHEMIFMAOB | |
| SCHEMBL8880119 | 0.75 | AKR1B1 (0.66) | AKR1B1MAPK14ACHETDP1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4051148-A | 6,11-Dihydrodibenzo-[b.e.]-thiepin-11-one-3-carboxaldehyde | SYNTEX (U.S.A.) INC. (US) | 1977-09-27 | — | — | US | claimed |
| US-4055574-A | ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, MUSCLE RELAXANT | SYNTEX (U.S.A.) INC. (US) | 1977-10-25 | — | — | US | disclosed |
| US-4051150-A | 3-(2-Dialkylamino-2-dialkylphosphonylvinyl)-6,11-dihydrodibenzo-[b.e.]-thiepin-11-one | SYNTEX (U.S.A.) INC. (US) | 1977-09-27 | — | — | US | disclosed |
| US-4051149-A | 6,11-Dihydrodibenzo-[b.e.]-thiepin-11-one-3-acetonitrile | SYNTEX (U.S.A.) INC. (US) | 1977-09-27 | — | — | US | disclosed |
| US-4051148-A | 6,11-Dihydrodibenzo-[b.e.]-thiepin-11-one-3-carboxaldehyde | SYNTEX (U.S.A.) INC. (US) | 1977-09-27 | — | — | US | disclosed |
| US-4051148-A | 6,11-Dihydrodibenzo-[b.e.]-thiepin-11-one-3-carboxaldehyde | SYNTEX (U.S.A.) INC. (US) | 1977-09-27 | — | — | US | disclosed |
| US-4051148-A | 6,11-Dihydrodibenzo-[b.e.]-thiepin-11-one-3-carboxaldehyde | SYNTEX (U.S.A.) INC. (US) | 1977-09-27 | — | — | US | disclosed |