Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL3360879 | 0.92 | CYP3A4 (0.42) | CYP3A4ADRB2ADRB1ADRB3ALDH1A1 | |
| SCHEMBL7022235 | 0.89 | CYP3A4 (0.33) | CYP3A4ADRB2ADRB1ADRB3ALDH1A1 | |
| SCHEMBL29018648 | 0.82 | CA1 (0.43) | CA1CA2TSHRHPGD | |
| SCHEMBL5697615 | 0.81 | KMT2A (0.30) | ALDH1A1TSHR | |
| SCHEMBL5697593 | 0.75 | CA1 (0.33) | ALDH1A1CA1CA2 | |
| SCHEMBL1357038 | 0.74 | — | — | |
| SCHEMBL8978426 | 0.74 | CYP3A4 (0.40) | CYP3A4ADRB2ADRB1ADRB3ALDH1A1 | |
| SCHEMBL7420586 | 0.73 | CA1 (0.37) | CA1CA2TSHRHPGD | |
| SCHEMBL7640731 | 0.72 | CYP3A4 (0.39) | CYP3A4ADRB2ADRB1ADRB3ALDH1A1 | |
| SCHEMBL13092148 | 0.72 | ADRB2 (0.38) | CYP3A4ADRB2ADRB1ADRB3ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5594006-A | SUCH AS COLLEGENASE, STROMELYSIN; ANTICANCER AGENTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1997-01-14 | — | — | US | disclosed |
| EP-0641323-A1 | CARBOSTYRIL DERIVATIVES AS MATRIX METALLOPROTEINASES INHIBITORS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1995-03-08 | — | — | EP | disclosed |
| WO-1994021612-A1 | CARBOSTYRIL DERIVATIVES AS MATRIX METALLOPROTEINASES INHIBITORS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-09-29 | — | — | WO | disclosed |