Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 14/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 14/20 | 0.41 |
| ▸ | OGFRL1 | Q5TC84 | 13/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 13/20 | 0.41 |
| ▸ | PRKACA | P17612 | 2/20 | 0.41 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.41 |
| ▸ | GSK3B | P49841 | 2/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL9915108 | 0.76 | TP53 (0.43) | TP53OPRM1OPRK1OGFRL1OPRD1 | |
| SCHEMBL18150997 | 0.76 | ACHE (0.36) | TP53OPRM1OPRK1OGFRL1OPRD1 | |
| SCHEMBL18148654 | 0.72 | CYP11B2 (0.39) | TP53OPRM1OPRK1OGFRL1OPRD1 | |
| SCHEMBL9261907 | 0.72 | SMN1; SMN2 (0.43) | TP53OPRM1OPRK1OGFRL1OPRD1 | |
| SCHEMBL5800826 | 0.72 | TP53 (0.42) | TP53OPRM1OPRK1OGFRL1OPRD1 | |
| SCHEMBL10830714 | 0.70 | MEN1 (0.62) | TP53MEN1KMT2AHDAC6 | |
| SCHEMBL29794895 | 0.70 | KDM4E (0.45) | TP53MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL11644774 | 0.69 | MEN1 (0.60) | TP53MEN1KMT2AHDAC6 | |
| SCHEMBL840083 | 0.68 | MEN1 (0.59) | TP53MEN1KMT2AHDAC6 | |
| SCHEMBL21311255 | 0.68 | OPRM1 (0.59) | TP53OPRM1OPRK1OGFRL1OPRD1 |
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-4104194-A | 1,2-FUSED 5- OR 6-MEMBERED 1,3-DINITROGEN HETEROCYCLIC COMPOUNDS AS ANTICORROSION AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1978-08-01 | — | — | US | claimed |
| US-4104194-A | 1,2-FUSED 5- OR 6-MEMBERED 1,3-DINITROGEN HETEROCYCLIC COMPOUNDS AS ANTICORROSION AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1978-08-01 | — | — | US | disclosed |
| US-4048174-A | ANTI-CORROSION AGENTS | BAYER AKTIENGESELLSCHAFT (DT) | 1977-09-13 | — | — | US | disclosed |