Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ACE | P12821 | 4/20 | 0.33 |
| ▸ | MME | P08473 | 1/20 | 0.32 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.31 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.31 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL20122423 | 0.91 | ELANE (0.36) | ATML3MBTL1ACEMMEACE2 | |
| SCHEMBL20122402 | 0.88 | ATM (0.36) | ATML3MBTL1THRBTDP1CYP1A2 | |
| SCHEMBL20122431 | 0.86 | ALDH1A1 (0.43) | MMEALDH1A1 | |
| SCHEMBL20122432 | 0.83 | KDM4E (0.31) | THRBNFKB1MAPT | |
| SCHEMBL20122409 | 0.83 | KDM4E (0.44) | ACEMMEACE2THRBNFKB1 | |
| SCHEMBL20122429 | 0.81 | CYP1A2 (0.33) | L3MBTL1CYP1A2ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL20122434 | 0.81 | — | — | |
| SCHEMBL20122428 | 0.80 | — | — | |
| SCHEMBL20122578 | 0.79 | ATM (0.35) | ATML3MBTL1CYP1A2NFKB1NFKB2 | |
| SCHEMBL20122507 | 0.79 | ELANE (0.35) | ATML3MBTL1ACECYP1A2NFKB1 |
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 |