Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.43 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.42 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.41 |
| ▸ | IMPDH2 | P12268 | 3/20 | 0.41 |
| ▸ | AKT1 | P31749 | 4/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | FASN | P49327 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28486284 | 0.82 | HIPK2 (0.53) | SMYD3CYP3A4HIPK2KDM2BIMPDH2 | |
| SCHEMBL9160200 | 0.78 | CES2 (0.57) | CYP3A4 | |
| SCHEMBL19900296 | 0.77 | SMYD3 (0.44) | SMYD3CYP3A4HIPK2KDM2BIMPDH2 | |
| SCHEMBL113378 | 0.76 | SMYD3 (0.55) | SMYD3CYP3A4HIPK2KDM2BIMPDH2 | |
| SCHEMBL29489099 | 0.76 | SMYD3 (0.55) | SMYD3CYP3A4HIPK2KDM2BIMPDH2 | |
| Hydrochloric Acid SCHEMBL7557776 | 0.75 | SMYD3 (0.54) | SMYD3CYP3A4HIPK2KDM2BIMPDH2 | |
| SCHEMBL12765931 | 0.75 | SMYD3 (0.50) | SMYD3CYP3A4HIPK2KDM2BIMPDH2 | |
| SCHEMBL3126130 | 0.75 | IMPDH2 (0.53) | SMYD3CYP3A4HIPK2KDM2BIMPDH2 | |
| SCHEMBL29522657 | 0.75 | AR (0.62) | SMYD3CYP3A4HIPK2KDM2BIMPDH2 | |
| SCHEMBL4280154 | 0.75 | AR (0.62) | SMYD3CYP3A4HIPK2KDM2BIMPDH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0234098-B1 | N-[piperidylaminocarbonyl]quinolinecarboxamide derivatives having psychotropic activity | JOHN WYETH & BROTHER LIMITED (GB) | 1992-02-26 | — | — | EP | disclosed |
| US-4778802-A | PSYCHOTROPIC ACTIVITY; ANTIDEPRESSANTS | JOHN WYETH & BROTHER, LTD. (GB) | 1988-10-18 | — | — | US | disclosed |
| EP-0234098-A1 | N-[piperidylaminocarbonyl]quinolinecarboxamide derivatives having psychotropic activity | JOHN WYETH & BROTHER LIMITED (GB) | 1987-09-02 | — | — | EP | disclosed |