Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP3 | P08254 | 1/20 | 0.44 |
| ▸ | MMP7 | P09237 | 1/20 | 0.44 |
| ▸ | MMP12 | P39900 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6479409 | 0.83 | KIF11 (0.46) | MMP2MMP3MMP7MMP12CHRNB2 | |
| SCHEMBL4443609 | 0.83 | ALDH1A1 (0.50) | MMP3MMP7MMP12CYP3A4HPGD | |
| SCHEMBL6993933 | 0.81 | MAPT (0.49) | MMP2MMP3MMP7MMP12CHRNB2 | |
| SCHEMBL14979205 | 0.78 | MEN1 (0.46) | MMP2MMP3MMP7MMP12MEN1 | |
| SCHEMBL6882102 | 0.77 | HTT (0.55) | CHRNB2CHRNA7CHRNA4CYP3A4TSHR | |
| Water SCHEMBL11540986 | 0.75 | HTT (0.53) | CHRNB2CHRNA7CHRNA4CYP3A4TSHR | |
| SCHEMBL31034424 | 0.72 | HPGD (0.58) | CHRNB2CHRNA7CHRNA4CYP3A4CYP1A2 | |
| SCHEMBL14193990 | 0.71 | CHRNB2 (0.64) | CHRNB2CHRNA7CHRNA4CYP3A4CYP1A2 | |
| SCHEMBL22132140 | 0.71 | CHRNB2 (0.47) | CHRNB2CHRNA7CHRNA4CYP3A4TSHR | |
| SCHEMBL5459223 | 0.71 | ALDH1A1 (0.50) | CHRNB2CHRNA7CHRNA4CYP3A4CYP1A2 |
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 |