Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | LOX | P28300 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.30 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.30 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.30 |
| ▸ | F2 | P00734 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL1847372 | 0.83 | CYP24A1 (0.37) | DRD1EPHX2CYP24A1RECQLLOX | |
| SCHEMBL1846993 | 0.79 | CYP24A1 (0.41) | EPHX2CYP24A1LOXKDM4EL3MBTL1 | |
| SCHEMBL1847989 | 0.78 | CYP24A1 (0.40) | CYP24A1LOXHDAC1HDAC2 | |
| SCHEMBL3088326 | 0.78 | EPHX1 (0.37) | EPHX2CYP24A1TSHRLOXEPHX1 | |
| SCHEMBL25149290 | 0.77 | TSHR (0.39) | EPHX2CYP24A1TSHRRECQLHPGD | |
| SCHEMBL2876561 | 0.77 | TSHR (0.39) | EPHX2CYP24A1TSHRRECQLHPGD | |
| SCHEMBL30364333 | 0.77 | TSHR (0.39) | EPHX2CYP24A1TSHRRECQLHPGD | |
| SCHEMBL28256735 | 0.77 | TSHR (0.39) | EPHX2CYP24A1TSHRRECQLHPGD | |
| SCHEMBL1847758 | 0.77 | CYP24A1 (0.40) | CYP24A1TSHRALDH1A1LMNAHDAC1 | |
| SCHEMBL1846008 | 0.77 | CYP24A1 (0.32) | CYP24A1KDM4EALDH1A1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4327100-A | USEFUL AS HYPERTENSIVE AND CARDIOTONIC AGENTS | BOEHRINGER INGELHEIM GMBH (DE) | 1982-04-27 | — | — | US | disclosed |