Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 3/20 | 0.45 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 3/20 | 0.39 |
| ▸ | QDPR | P09417 | 1/20 | 0.38 |
| ▸ | CDK9 | P50750 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.37 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.36 |
| ▸ | GABRP | O00591 | 1/20 | 0.36 |
| ▸ | GABRD | O14764 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30454304 | 0.86 | SIGMAR1 (0.56) | SIGMAR1HTR2CGRM5HTR6QDPR | |
| SCHEMBL169400 | 0.86 | SIGMAR1 (0.56) | SIGMAR1HTR2CGRM5HTR6QDPR | |
| Hydrochloric Acid SCHEMBL4002469 | 0.84 | HTR2C (0.58) | SIGMAR1HTR2CGRM5HTR6QDPR | |
| Hydrochloric Acid SCHEMBL17667435 | 0.84 | HTR2C (0.58) | SIGMAR1HTR2CGRM5HTR6QDPR | |
| Trifluoroacetic Acid SCHEMBL1198632 | 0.82 | SIGMAR1 (0.50) | SIGMAR1HTR2CQDPRCDK9NAMPT | |
| SCHEMBL7476651 | 0.81 | SIGMAR1 (0.47) | SIGMAR1HTR2CGRM5HTR6QDPR | |
| Trifluoroacetic Acid SCHEMBL19989664 | 0.79 | SIGMAR1 (0.67) | SIGMAR1HTR2CHTR6QDPRNAMPT | |
| Trifluoroacetic Acid SCHEMBL3854727 | 0.79 | TRPV1 (0.40) | SIGMAR1HTR2CP2RY14 | |
| Trifluoroacetic Acid SCHEMBL16228956 | 0.78 | SIGMAR1 (0.51) | SIGMAR1HTR2CQDPRNAMPTFTO | |
| Dipyridyl SCHEMBL16766343 | 0.76 | KDM4E (0.58) | PIN1 |
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-0463810-B1 | Heterocyclic compound and psychopharmaceutical composition containing same | SUNTORY LTD (JP) | 1996-01-10 | — | — | EP | disclosed |
| US-5158947-A | CONDENSED HETEROCYCLIC COMPOUNDS AND PSYCHOPHARMACEUTICAL COMPOSITION CONTAINING SAME | SUNTORY LIMITED (JP) | 1992-10-27 | — | — | US | disclosed |
| EP-0463810-A1 | Heterocyclic compound and psychopharmaceutical composition containing same | SUNTORY LIMITED (JP) | 1992-01-02 | — | — | EP | disclosed |