Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6783358 | 0.81 | ACHE (0.42) | ACHETSHR | |
| SCHEMBL6774969 | 0.78 | TSHR (0.48) | ACHETSHR | |
| SCHEMBL9950759 | 0.73 | LCK (0.53) | LCKFYNCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL6407738 | 0.73 | CYP1A2 (0.45) | LCKFYNCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7339310 | 0.71 | CA1 (0.42) | LCKFYNCYP1A2CYP3A4CYP2C9 | |
| Ethylene SCHEMBL6409433 | 0.71 | CYP1A2 (0.43) | LCKFYNCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL6780474 | 0.70 | TTR (0.43) | CYP3A4CYP2C9CYP2C19GAATSHR | |
| Oxalic Acid SCHEMBL5917366 | 0.69 | HTR2A (0.41) | LCKFYNACHE | |
| SCHEMBL5846551 | 0.69 | HTR2A (0.49) | CYP1A2CYP3A4CYP2C9CYP2C19GAA | |
| SCHEMBL8234075 | 0.69 | KDM1A (0.46) | LCKFYNCYP1A2CYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-6831199-B1 | In order to avoid bleeding side-effects when treating the conditions associated with integrin alpha v beta 3, it is beneficial to have compounds which are selective antagonists for alpha v beta 3 versus alpha IIb beta 3 | G. D. SEARLE & CO. | 2004-12-14 | — | — | US | disclosed |