Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CAD | P27708 | 1/20 | 0.30 |
| ▸ | METAP2 | P50579 | 1/20 | 0.30 |
| ▸ | METAP1 | P53582 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL20122545 | 0.91 | CYP1A2 (0.31) | CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL20122592 | 0.91 | CYP1A2 (0.32) | CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL20122396 | 0.90 | CYP1A2 (0.38) | CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2 | |
| SCHEMBL20122546 | 0.89 | CYP1A2 (0.37) | CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2 | |
| SCHEMBL20122523 | 0.89 | CYP1A2 (0.37) | CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2 | |
| SCHEMBL20122591 | 0.89 | CYP1A2 (0.37) | CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2 | |
| SCHEMBL20122444 | 0.89 | CYP1A2 (0.31) | CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL20122550 | 0.88 | — | — | |
| SCHEMBL20122387 | 0.84 | PPARA (0.37) | CYP1A2CYP2C9CYP2C19POLB | |
| SCHEMBL20122520 | 0.84 | — | — |
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 |