Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.90 |
| ▸ | CTSL | P07711 | 3/20 | 0.60 |
| ▸ | CTSS | P25774 | 3/20 | 0.60 |
| ▸ | CA1 | P00915 | 1/20 | 0.59 |
| ▸ | CA2 | P00918 | 1/20 | 0.59 |
| ▸ | ACHE | P22303 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | CNR2 | P34972 | 1/20 | 0.54 |
| ▸ | CTSK | P43235 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | PLAU | P00749 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL10681640 | 0.95 | ATM (1.00) | ATMCTSLCTSSCA1CA2 | |
| SCHEMBL11613843 | 0.91 | ATM (0.83) | ATMCTSLCTSSCA1CA2 | |
| SCHEMBL6736883 | 0.88 | ATM (0.70) | ATMCTSLCTSS | |
| SCHEMBL434233 | 0.87 | ATM (0.77) | ATMCTSLCTSSCYP3A4ALDH1A1 | |
| SCHEMBL1362502 | 0.87 | ATM (0.77) | ATMCTSLCTSSCYP3A4ALDH1A1 | |
| SCHEMBL7719287 | 0.87 | ATM (0.77) | ATMCTSLCTSSCYP3A4ALDH1A1 | |
| SCHEMBL3255533 | 0.87 | ATM (0.77) | ATMCTSLCTSSCYP3A4ALDH1A1 | |
| SCHEMBL7037493 | 0.87 | ATM (0.69) | ATMCTSLCTSSCA1CA2 | |
| SCHEMBL5742261 | 0.86 | ATM (0.67) | ATMCTSLCTSSCYP3A4ALDH1A1 | |
| SCHEMBL17765000 | 0.86 | ATM (0.67) | ATMCTSLCTSSCYP3A4ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0659737-B1 | Catecholamine surrogates useful as beta 3 agonists | BRISTOL MYERS SQUIBB CO (US) | 2003-03-26 | — | — | EP | disclosed |
| EP-0659737-A2 | Catecholamine surrogates useful as B3 agonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 1995-06-28 | — | — | EP | disclosed |