Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7405579 | 0.87 | CYP1A2 (0.56) | CYP1A2CYP2D6CHRNA7ALDH1A1CHRNB2 | |
| SCHEMBL11177988 | 0.82 | CHRM2 (0.47) | CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4 | |
| SCHEMBL30732355 | 0.82 | CYP1A2 (0.50) | CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4 | |
| SCHEMBL29152282 | 0.82 | CYP1A2 (0.50) | CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4 | |
| SCHEMBL11179366 | 0.80 | CHRM2 (0.42) | CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4 | |
| SCHEMBL7750593 | 0.80 | CYP1A2 (0.48) | CYP1A2CYP2D6CHRNA7ALDH1A1CHRNB2 | |
| SCHEMBL12854012 | 0.80 | CHRNB2 (0.52) | CYP1A2CYP2D6CHRNA7ALDH1A1CHRNB2 | |
| SCHEMBL3419445 | 0.79 | CYP1A2 (0.56) | CYP1A2CYP2D6CHRNA7ALDH1A1CHRNB2 | |
| SCHEMBL22922294 | 0.77 | CHRM2 (0.46) | CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4 | |
| SCHEMBL9267237 | 0.77 | NAPRT (0.46) | CYP1A2CYP2D6CHRNA7ALDH1A1CHRNB2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5116833-A | ANTIBIOTIC C-3 DITHIOACETAL-SUBSTITUTED CARBAPENEM COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF | BRISTOL-MYERS SQUIBB COMPANY (US) | 1992-05-26 | — | — | US | disclosed |
| EP-0481511-A2 | Antibiotic C-3 dithioacetal-substituted carbapenem compounds, compositions, and use thereof | Bristol-Myers Squibb Company (US) | 1992-04-22 | — | — | EP | disclosed |