Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | ACHE | P22303 | 6/20 | 0.55 |
| ▸ | CHRM2 | P08172 | 11/20 | 0.53 |
| ▸ | BCHE | P06276 | 5/20 | 0.47 |
| ▸ | TOP2A | P11388 | 2/20 | 0.47 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.46 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.46 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | THPO | P40225 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7325202 | 0.83 | REN (0.49) | TSHR | |
| SCHEMBL7319791 | 0.78 | REN (0.50) | CHRM2 | |
| SCHEMBL9447512 | 0.78 | CA12 (0.65) | CYP3A4CYP2D6TSHRACHECHRM2 | |
| SCHEMBL10013764 | 0.73 | CYP1A2 (0.78) | CYP3A4CYP2D6CYP1A2CYP2C19TSHR | |
| SCHEMBL10873043 | 0.73 | CHRM2 (0.85) | CYP3A4CYP2D6TSHRACHECHRM2 | |
| SCHEMBL25695874 | 0.72 | CDK8 (0.49) | — | |
| SCHEMBL7320232 | 0.72 | REN (0.55) | GRIN1GRIN2A | |
| SCHEMBL7327795 | 0.71 | REN (0.53) | — | |
| SCHEMBL21498147 | 0.71 | ELANE (0.52) | CYP3A4CYP1A2CYP2C19TSHR | |
| SCHEMBL8567854 | 0.70 | TSHR (0.60) | CYP3A4CYP2D6CYP1A2CYP2C19TSHR |
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-5218000-A | Nervous system disorders, antiischemic agents | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1993-06-08 | — | — | US | disclosed |
| EP-0361687-A1 | Therapeutic polyamine-amides | BTG INTERNATIONAL LIMITED (GB) | 1990-04-04 | — | — | EP | disclosed |
| WO-1990002114-A1 | THERAPEUTIC POLYAMINE-AMIDES | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1990-03-08 | — | — | WO | disclosed |