Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TRPM8 | Q7Z2W7 | 3/20 | 0.45 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.43 |
| ▸ | MLYCD | O95822 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10220934 | 0.85 | TRPM8 (0.61) | TRPM8ALDH1A1GLA | |
| SCHEMBL9716636 | 0.84 | CYP3A4 (0.50) | CYP3A4LMNATRPM8ALDH1A1GLA | |
| SCHEMBL9716632 | 0.84 | CYP3A4 (0.50) | CYP3A4LMNATRPM8ALDH1A1GLA | |
| SCHEMBL20314813 | 0.84 | CYP3A4 (0.50) | CYP3A4LMNATRPM8ALDH1A1GLA | |
| SCHEMBL20314798 | 0.83 | GSTO1 (0.58) | TRPM8GSTO1MLYCDALDH1A1GLA | |
| SCHEMBL8439016 | 0.82 | ALDH1A1 (0.47) | CYP3A4GSTO1MLYCDALDH1A1GLA | |
| SCHEMBL5353769 | 0.79 | ALDH1A1 (0.51) | CYP3A4MLYCDALDH1A1GLATSHR | |
| SCHEMBL10591288 | 0.79 | CYP3A4 (0.64) | CYP3A4LMNATRPM8ALDH1A1GLA | |
| SCHEMBL29873818 | 0.78 | ALDH1A1 (0.46) | CYP3A4GSTO1MLYCDALDH1A1GLA | |
| SCHEMBL28294373 | 0.78 | ALDH1A1 (0.46) | CYP3A4GSTO1MLYCDALDH1A1GLA |
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 3 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 |