Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.34 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.34 |
| ▸ | ITGAL | P20701 | 1/20 | 0.34 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CRHBP | P24387 | 2/20 | 0.32 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29543994 | 0.82 | OPRD1 (0.43) | PIK3CAITGB2ICAM1ITGALCYP19A1 | |
| SCHEMBL2485975 | 0.82 | OPRD1 (0.43) | PIK3CAITGB2ICAM1ITGALCYP19A1 | |
| SCHEMBL11724954 | 0.80 | ESR1 (0.46) | PIK3CAITGB2ICAM1ITGAL | |
| SCHEMBL29100528 | 0.80 | ADRA2A (0.42) | — | |
| SCHEMBL6479526 | 0.79 | PIK3CA (0.37) | PIK3CAITGB2ICAM1ITGALSSTR4 | |
| SCHEMBL20856119 | 0.76 | CYP19A1 (0.51) | CYP19A1KCNH2 | |
| Methylamine SCHEMBL28010895 | 0.76 | ESR1 (0.43) | PIK3CASSTR4 | |
| SCHEMBL20856129 | 0.75 | PIK3CA (0.43) | PIK3CAITGB2ICAM1ITGALKCNH2 | |
| SCHEMBL22332700 | 0.75 | PIK3CA (0.43) | PIK3CAITGB2ICAM1ITGALKCNH2 | |
| SCHEMBL21092244 | 0.74 | ESR1 (0.46) | — |
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-6962938-B2 | Spiro-cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α converting enzyme (TACE) | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2005-11-08 | — | — | US | disclosed |
| US-6720329-B2 | ANTIINFLAMMATORY AGENTS | BRISTOL-MYERS SQUIBB PHARMA | 2004-04-13 | — | — | US | disclosed |