Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.34 |
| ▸ | 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 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 2/20 | 0.31 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.30 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.30 |
| ▸ | HTR4 | Q13639 | 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 | |
|---|---|---|---|---|
| SCHEMBL7303836 | 0.91 | SMN1; SMN2 (0.38) | HRH3TSHRALDH1A1HTR4 | |
| SCHEMBL7314564 | 0.90 | SMN1; SMN2 (0.33) | HRH3HTR4 | |
| SCHEMBL7308696 | 0.89 | ITGB3 (0.32) | HRH3ALDH1A1 | |
| SCHEMBL7307905 | 0.88 | FKBP1A (0.32) | TSHRSIGMAR1 | |
| SCHEMBL7313319 | 0.85 | MTOR (0.32) | — | |
| SCHEMBL7310999 | 0.83 | CCR5 (0.35) | PARP1HTR4 | |
| SCHEMBL7314434 | 0.82 | CYP1A2 (0.35) | CYP1A2PARP1HTR4 | |
| SCHEMBL7309076 | 0.82 | ALDH1A1 (0.39) | ALDH1A1 | |
| SCHEMBL7314775 | 0.82 | HRH3 (0.36) | HRH3CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7303568 | 0.81 | ALDH1A1 (0.45) | TSHRALDH1A1 |
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 |