Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | CFD | P00746 | 1/20 | 0.47 |
| ▸ | TPSAB1 | Q15661 | 3/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.43 |
| ▸ | KLK1 | P06870 | 1/20 | 0.43 |
| ▸ | FPR3 | P25089 | 1/20 | 0.43 |
| ▸ | FPR2 | P25090 | 1/20 | 0.43 |
| ▸ | PNMT | P11086 | 1/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL624727 | 0.87 | CYP2C19 (0.49) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL625014 | 0.86 | TPSAB1 (0.61) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL5834744 | 0.84 | CYP1A2 (0.51) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL15680103 | 0.83 | CYP1A2 (0.50) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL10071127 | 0.81 | TACR1 (0.39) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL1500540 | 0.80 | CYP1A2 (0.79) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL7041171 | 0.80 | CYP2C9 (0.58) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL181282 | 0.79 | RIPK1 (0.61) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL31168314 | 0.78 | CYP1A2 (0.56) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL4927953 | 0.78 | CYP1A2 (0.56) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012020221-A1 | COMPOUNDS | NOVACTA BIOSYSTEMS LIMITED (GB) | 2012-02-16 | — | — | WO | disclosed |
| WO-2012020221-A1 | COMPOUNDS | NOVACTA BIOSYSTEMS LIMITED (GB) | 2012-02-16 | — | — | WO | disclosed |