Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 7/20 | 0.42 |
| ▸ | BCHE | P06276 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CACNB4 | O00305 | 1/20 | 0.39 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.39 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.39 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.39 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.39 |
| ▸ | CACNA1G | O43497 | 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 | |
|---|---|---|---|---|
| SCHEMBL6479819 | 0.79 | ALDH1A1 (0.54) | ACHEBCHEALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL11870225 | 0.72 | MAPT (0.50) | ACHEBCHEALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL2883734 | 0.70 | ALDH1A1 (0.56) | ACHEALDH1A1HSD17B10CYP1A2CYP2D6 | |
| SCHEMBL4059612 | 0.69 | ADAM17 (0.48) | ACHEBCHEALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL9735885 | 0.69 | ACHE (0.62) | ACHEBCHEALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL30661688 | 0.68 | DCPS (0.46) | ACHEBCHEALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL9735659 | 0.67 | ACHE (0.68) | ACHEBCHEALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL4050645 | 0.67 | ADAM17 (0.60) | ACHEALDH1A1HSD17B10CYP1A2CYP2D6 | |
| SCHEMBL9167709 | 0.66 | ACHE (0.62) | ACHEBCHEALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL9737220 | 0.64 | ACHE (0.68) | ACHEBCHEALDH1A1HSD17B10CYP1A2 |
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 |