Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BIRC2 | Q13490 | 1/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.56 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.56 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.56 |
| ▸ | RARG | P13631 | 1/20 | 0.56 |
| ▸ | CNR1 | P21554 | 1/20 | 0.56 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.56 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.56 |
| ▸ | PPARA | Q07869 | 1/20 | 0.56 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.56 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.56 |
| ▸ | MME | P08473 | 1/20 | 0.56 |
| ▸ | FCER2 | P06734 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL5870422 | 1.00 | BIRC2 (0.67) | BIRC2CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL10952133 | 1.00 | BIRC2 (0.67) | BIRC2CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL5870425 | 1.00 | BIRC2 (0.67) | BIRC2CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL8249764 | 1.00 | BIRC2 (0.67) | BIRC2CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL5870418 | 1.00 | BIRC2 (0.67) | BIRC2CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL8165462 | 0.91 | CYP2C9 (0.61) | BIRC2CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL11124818 | 0.90 | MME (0.70) | CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7324192 | 0.90 | MME (0.70) | CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11121850 | 0.89 | CYP1A2 (0.55) | BIRC2CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL10957186 | 0.89 | BIRC2 (0.53) | BIRC2CYP2C9CYP2C19CYP1A2CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6048852-A | BACTERICIDES | SMITHKLINE BEECHAM P.L.C. (GB) | 2000-04-11 | — | — | US | disclosed |
| EP-0900197-A1 | BETA-THIOPROPIONYL-AMINOACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS | SMITHKLINE BEECHAM PLC (GB) | 1999-03-10 | — | — | EP | disclosed |
| WO-1997030027-A1 | BETA-THIOPROPIONYL-AMINOACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS | SMITHKLINE BEECHAM PLC (GB) | 1997-08-21 | — | — | WO | disclosed |
| US-4513009-A | GLYCINE, ALANINE AND SERINE DERIVATIVES | SOCIETE CIVILE BIOPROJET (FR) | 1985-04-23 | — | — | US | disclosed |