Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.35 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.35 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9510114 | 1.00 | SMN1; SMN2 (0.38) | SMN1; SMN2ACE2NPC1OPRD1POLB | |
| SCHEMBL16419143 | 0.84 | HRH3 (0.45) | SMN1; SMN2ACE2OPRD1OPRK1 | |
| SCHEMBL18211049 | 0.84 | HRH3 (0.45) | SMN1; SMN2ACE2OPRD1OPRK1 | |
| SCHEMBL9457954 | 0.82 | OPRK1 (0.46) | SMN1; SMN2ACE2OPRD1OPRK1RPS6KB1 | |
| SCHEMBL28162788 | 0.82 | RPS6KB1 (0.49) | SMN1; SMN2RPS6KB1AKT1AURKBINCENP | |
| SCHEMBL28163316 | 0.82 | RPS6KB1 (0.49) | SMN1; SMN2RPS6KB1AKT1AURKBINCENP | |
| SCHEMBL2947193 | 0.82 | SMN1; SMN2 (0.45) | SMN1; SMN2POLB | |
| SCHEMBL14451981 | 0.82 | RPS6KB1 (0.47) | OPRK1RPS6KB1AKT1AURKBINCENP | |
| SCHEMBL28163310 | 0.82 | SMN1; SMN2 (0.45) | SMN1; SMN2POLB | |
| SCHEMBL9457958 | 0.82 | OPRK1 (0.46) | SMN1; SMN2ACE2OPRD1OPRK1RPS6KB1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0254545-B1 | DIAMINE COMPOUNDS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-10-06 | — | — | EP | disclosed |
| EP-0254545-A2 | Diamine compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-01-27 | — | — | EP | disclosed |