Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.30 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7565113 | 0.82 | ROCK2 (0.34) | CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7591671 | 0.69 | ITGB3 (0.34) | — | |
| SCHEMBL8346446 | 0.62 | GAA (0.54) | — | |
| SCHEMBL7587029 | 0.60 | ITGAV (0.61) | — | |
| SCHEMBL2583169 | 0.59 | NAAA (0.59) | — | |
| SCHEMBL8345627 | 0.58 | TSHR (0.59) | TSHR | |
| SCHEMBL7552715 | 0.58 | HRH3 (0.34) | — | |
| SCHEMBL9130017 | 0.57 | PAOX (0.52) | SIRT2SIRT1 | |
| SCHEMBL31185940 | 0.57 | DNM1 (0.54) | TSHRCYP3A4CYP2D6CYP2C19 | |
| SCHEMBL4578705 | 0.57 | GAA (0.56) | PKMTSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0946165-A4 | INTEGRIN ANTAGONISTS | MERCK & CO INC (US) | 2001-04-11 | — | — | EP | disclosed |
| EP-0946165-A1 | INTEGRIN ANTAGONISTS | Merck & Co., Inc. (US) | 1999-10-06 | — | — | EP | disclosed |
| WO-1998018460-A1 | INTEGRIN ANTAGONISTS | MERCK & CO., INC. (US) | 1998-05-07 | — | — | WO | disclosed |