Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 11/20 | 0.83 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.50 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.50 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.50 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.50 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.50 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.50 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | THPO | P40225 | 1/20 | 0.49 |
| ▸ | MTOR | P42345 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8320910 | 1.00 | SIGMAR1 (0.83) | SIGMAR1CYP2D6CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7410470 | 0.91 | SIGMAR1 (1.00) | SIGMAR1CYP2D6CYP1A2CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL7417162 | 0.90 | SIGMAR1 (0.97) | SIGMAR1CYP2D6CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL6724194 | 0.84 | SIGMAR1 (1.00) | SIGMAR1CYP2D6TP53TSHRTHPO | |
| Hydrochloric Acid SCHEMBL7415155 | 0.83 | SIGMAR1 (0.97) | SIGMAR1CYP2D6TP53TSHRTHPO | |
| SCHEMBL6719529 | 0.80 | SIGMAR1 (1.00) | SIGMAR1CYP2D6TP53TSHRTHPO | |
| Hydrochloric Acid SCHEMBL7412585 | 0.79 | SIGMAR1 (0.97) | SIGMAR1CYP2D6TP53TSHRTHPO | |
| SCHEMBL2804173 | 0.76 | SIGMAR1 (0.61) | SIGMAR1CYP2D6CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL27756029 | 0.75 | SIGMAR1 (0.61) | SIGMAR1CYP2D6TP53TSHRTHPO | |
| SCHEMBL20263722 | 0.75 | SIGMAR1 (0.51) | SIGMAR1CYP2D6CYP1A2CYP3A4CYP2C9 |
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-5882833-A | COLORS AND AROMATIC SULFONIC ACID SALTS | ZENECA LIMITED (GB) | 1999-03-16 | — | — | US | disclosed |
| EP-0789685-A1 | GUANIDINE SALT DERIVATES AND USE AS CHARGE CONTROL AGENTS | ZENECA LIMITED (GB) | 1997-08-20 | — | — | EP | disclosed |
| WO-1996014294-A1 | GUANIDINE SALT DERIVATES AND USE AS CHARGE CONTROL AGENTS | ZENECA LIMITED (GB) | 1996-05-17 | — | — | WO | disclosed |