Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 1/20 | 0.57 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | ESR1 | P03372 | 8/20 | 0.54 |
| ▸ | TSHR | P16473 | 4/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.54 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL31346664 | 0.95 | CYP4F2 (0.56) | CYP4F2CYP4A11CYP1A2CYP2C19SMN1; SMN2 | |
| SCHEMBL4449396 | 0.94 | LMNA (0.57) | CYP4F2CYP4A11NPC1RAB9AESR1 | |
| SCHEMBL6669066 | 0.94 | LMNA (0.57) | CYP4F2CYP4A11NPC1RAB9AESR1 | |
| SCHEMBL10706157 | 0.91 | L3MBTL1 (0.57) | CYP4F2CYP4A11L3MBTL1CYP1A2CYP2C19 | |
| SCHEMBL15344564 | 0.88 | CYP4F2 (0.61) | CYP4F2CYP4A11L3MBTL1CYP1A2CYP2C19 | |
| SCHEMBL111861 | 0.87 | L3MBTL1 (0.64) | L3MBTL1CYP1A2CYP2C19SMN1; SMN2CYP2C9 | |
| SCHEMBL27537771 | 0.87 | TSHR (0.54) | CYP4F2CYP4A11L3MBTL1CYP1A2CYP2C19 | |
| Lithium SCHEMBL30876327 | 0.85 | L3MBTL1 (0.62) | L3MBTL1CYP1A2CYP2C19SMN1; SMN2CYP2C9 | |
| SCHEMBL7189257 | 0.85 | L3MBTL1 (0.62) | L3MBTL1CYP1A2CYP2C19SMN1; SMN2CYP2C9 | |
| SCHEMBL15888238 | 0.85 | SMN1; SMN2 (0.55) | CYP4F2CYP4A11L3MBTL1CYP1A2CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101365682-A | Bicyclic compounds with kinase inhibitory activity | MILLENNIUM PHARM INC (US) | 2009-02-11 | — | — | CN | disclosed |
| US-4990690-A | Catalytic hydrocracking of an aroomatic carboxylic acid ester | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1991-02-05 | — | — | US | disclosed |