Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.31 |
| ▸ | TACR1 | P25103 | 1/20 | 0.30 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.30 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL7309953 | 0.92 | SMN1; SMN2 (0.36) | HRH3ALDH1A1 | |
| SCHEMBL7305673 | 0.91 | HRH3 (0.31) | HRH3SIGMAR1 | |
| SCHEMBL7304254 | 0.90 | HRH3 (0.33) | HRH3 | |
| SCHEMBL7307085 | 0.85 | SIGMAR1 (0.38) | HRH3TSHROPRL1SIGMAR1ALDH1A1 | |
| SCHEMBL7313111 | 0.85 | HRH3 (0.31) | HRH3 | |
| SCHEMBL8654695 | 0.84 | HRH3 (0.32) | HRH3CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7305758 | 0.84 | SIGMAR1 (0.36) | SIGMAR1 | |
| SCHEMBL7309143 | 0.83 | CYP1A2 (0.32) | HRH3CYP1A2 | |
| SCHEMBL7309154 | 0.82 | ACHE (0.45) | — | |
| SCHEMBL7302535 | 0.82 | HRH3 (0.34) | HRH3CYP1A2CYP3A4CYP2D6CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0711770-A1 | Antagonists of adhesion receptors | MERCK PATENT GmbH (DE) | 1996-05-15 | — | — | EP | disclosed |