Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.37 |
| ▸ | RARG | P13631 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.37 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.37 |
| ▸ | MME | P08473 | 1/20 | 0.36 |
| ▸ | ANPEP | P15144 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20122488 | 0.91 | ALDH1A1 (0.42) | PPARACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL20122481 | 0.90 | CTSK (0.38) | PPARACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL20122583 | 0.90 | MME (0.36) | PPARACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL20122394 | 0.89 | KMT2A (0.42) | PPARACYP2D6MMEANPEPSYK | |
| SCHEMBL20122551 | 0.84 | CYP1A2 (0.40) | CYP1A2CYP2C9CYP2C19POLB | |
| SCHEMBL20122545 | 0.83 | CYP1A2 (0.31) | CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL20122444 | 0.83 | CYP1A2 (0.31) | CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL20122592 | 0.82 | CYP1A2 (0.32) | CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL20122516 | 0.81 | ADRB2 (0.41) | PPARACYP2D6IDO1PPARG | |
| SCHEMBL20122556 | 0.81 | ADRB2 (0.39) | CYP2D6 |
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-9963428-B1 | Bucillamine prodrugs, pharmaceutical compositions thereof, and methods of use | Nguyen, Mark Quang (US) | 2018-05-08 | — | — | US | disclosed |