Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 1/20 | 0.33 |
| ▸ | SYK | P43405 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL9023712 | 0.76 | OPRM1 (0.49) | TSHRALDH1A1HSD17B10CYP3A4CYP2D6 | |
| SCHEMBL3905108 | 0.75 | HSD17B10 (0.41) | TSHRALDH1A1HSD17B10CYP3A4CYP2D6 | |
| SCHEMBL27666393 | 0.72 | ADRB1 (0.40) | ALDH1A1MAPK1TACR1SYK | |
| SCHEMBL7426632 | 0.70 | HSD11B1 (0.43) | TSHRALDH1A1HSD17B10CYP3A4CYP2D6 | |
| SCHEMBL21479939 | 0.69 | ALDH1A1 (0.40) | TSHRALDH1A1HSD17B10CYP3A4HPGD | |
| Hydrochloric Acid SCHEMBL8353054 | 0.69 | HSD11B1 (0.42) | TSHRALDH1A1HSD17B10CYP3A4CYP2D6 | |
| SCHEMBL8636435 | 0.69 | OPRM1 (0.44) | TSHRALDH1A1HSD17B10CYP3A4CYP2D6 | |
| SCHEMBL29602661 | 0.69 | OPRM1 (0.53) | TSHRALDH1A1HSD17B10CYP3A4CYP2D6 | |
| SCHEMBL2222591 | 0.69 | ALDH1A1 (0.46) | TSHRALDH1A1HSD17B10CYP3A4CYP2D6 | |
| SCHEMBL171507 | 0.69 | OPRM1 (0.53) | TSHRALDH1A1HSD17B10CYP3A4CYP2D6 |
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 |