Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | ELANE | P08246 | 7/20 | 0.33 |
| ▸ | PRTN3 | P24158 | 6/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | PRKCA | P17252 | 1/20 | 0.30 |
| ▸ | PRKCD | Q05655 | 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 | |
|---|---|---|---|---|
| SCHEMBL20122402 | 0.91 | ATM (0.36) | ATML3MBTL1NFKB1NFKB2RELA | |
| SCHEMBL20122507 | 0.90 | ELANE (0.35) | ATML3MBTL1NFKB1NFKB2RELA | |
| SCHEMBL20122393 | 0.89 | ADRB2 (0.38) | ATML3MBTL1NFKB1NFKB2RELA | |
| SCHEMBL20122583 | 0.87 | MME (0.36) | IDO1CYP1A2CYP3A4PRKCAPRKCD | |
| SCHEMBL20122448 | 0.84 | — | — | |
| SCHEMBL20122522 | 0.84 | — | — | |
| SCHEMBL20122521 | 0.82 | CYP1A2 (0.32) | CYP1A2 | |
| SCHEMBL20122523 | 0.82 | CYP1A2 (0.37) | CYP1A2 | |
| SCHEMBL20122519 | 0.81 | — | — | |
| SCHEMBL20122557 | 0.81 | — | — |
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 |