Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 9/20 | 0.79 |
| ▸ | MC4R | P32245 | 4/20 | 0.67 |
| ▸ | MAOA | P21397 | 2/20 | 0.55 |
| ▸ | RORC | P51449 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TACR1 | P25103 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL13365061 | 1.00 | KCNH2 (0.79) | KCNH2MC4RMAOARORCALDH1A1 | |
| SCHEMBL3346236 | 0.88 | MC4R (0.65) | KCNH2MC4RMAOAKDM1ACYP3A4 | |
| SCHEMBL23951395 | 0.87 | MC4R (0.77) | KCNH2MC4RALDH1A1TSHRHSD17B10 | |
| SCHEMBL13364991 | 0.87 | MC4R (0.77) | KCNH2MC4RALDH1A1TSHRHSD17B10 | |
| SCHEMBL23951303 | 0.87 | MC4R (0.77) | KCNH2MC4RALDH1A1TSHRHSD17B10 | |
| SCHEMBL3353248 | 0.86 | MC4R (0.68) | KCNH2MC4RALDH1A1TSHRHSD17B10 | |
| SCHEMBL13365063 | 0.86 | MC4R (0.68) | KCNH2MC4RALDH1A1TSHRHSD17B10 | |
| Hydrochloric Acid SCHEMBL23923790 | 0.86 | MC4R (0.75) | KCNH2MC4RALDH1A1TSHRHSD17B10 | |
| SCHEMBL2226816 | 0.84 | MC4R (0.68) | KCNH2MC4RALDH1A1TSHRHSD17B10 | |
| SCHEMBL13365062 | 0.83 | KCNH2 (0.57) | KCNH2MC4RMAOATACR1CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010059922-A1 | PYRROLIDINE CARBOXAMIDE COMPOUNDS | LIGAND PHARMACEUTICALS INCORPORATED (US) | 2010-05-27 | — | — | WO | claimed |