Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | GPR3 | P46089 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | AHR | P35869 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6882102 | 0.79 | HTT (0.55) | KIF11ALDH1A1GPR3HSD17B10HTT | |
| Water SCHEMBL11540986 | 0.78 | HTT (0.53) | KIF11ALDH1A1GPR3HSD17B10HTT | |
| SCHEMBL1917841 | 0.78 | AHR (0.57) | KIF11ALDH1A1GPR3HSD17B10HTT | |
| SCHEMBL16572864 | 0.77 | KIF11 (0.43) | KIF11ALDH1A1GPR3HSD17B10HTT | |
| SCHEMBL16973815 | 0.76 | ALDH1A1 (0.46) | KIF11ALDH1A1GPR3HSD17B10HTT | |
| SCHEMBL18015851 | 0.76 | KIF11 (0.46) | KIF11ALDH1A1GPR3HSD17B10HTT | |
| SCHEMBL11382073 | 0.76 | KIF11 (0.46) | KIF11ALDH1A1GPR3HSD17B10HTT | |
| SCHEMBL13437643 | 0.76 | KIF11 (0.46) | KIF11ALDH1A1GPR3HSD17B10HTT | |
| SCHEMBL9012812 | 0.76 | KDM4E (0.51) | KIF11ALDH1A1GPR3HSD17B10HTT | |
| SCHEMBL10644926 | 0.76 | KIF11 (0.46) | KIF11ALDH1A1GPR3HSD17B10HTT |
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 |