Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.64 |
| ▸ | CASP1 | P29466 | 1/20 | 0.64 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.41 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7416817 | 0.89 | HSD17B10 (0.52) | HSD17B10CASP1L3MBTL1CYP3A4CYP2C19 | |
| SCHEMBL7384417 | 0.88 | HSD17B10 (0.66) | HSD17B10CASP1L3MBTL1CYP3A4CYP2C19 | |
| SCHEMBL7858782 | 0.86 | CASP1 (0.49) | HSD17B10CASP1L3MBTL1CNR2PDE4A | |
| SCHEMBL5498111 | 0.86 | CASP1 (0.49) | HSD17B10CASP1PDE4APDE4D | |
| SCHEMBL522321 | 0.84 | CASP1 (0.46) | HSD17B10CASP1L3MBTL1CYP3A4CYP2C19 | |
| SCHEMBL7415171 | 0.84 | HSD17B10 (0.45) | HSD17B10CASP1L3MBTL1CYP3A4CYP2C19 | |
| SCHEMBL8607187 | 0.82 | CYP3A4 (0.65) | HSD17B10CASP1L3MBTL1CYP3A4CYP2C19 | |
| SCHEMBL11818519 | 0.82 | ALDH1A1 (0.47) | HSD17B10CASP1L3MBTL1CYP2C19CYP1A2 | |
| SCHEMBL3519610 | 0.81 | L3MBTL1 (0.45) | HSD17B10CASP1L3MBTL1NFE2L2MAPT | |
| SCHEMBL7744791 | 0.81 | HSD17B10 (0.41) | HSD17B10CASP1CYP3A4CYP2C19CYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4843081-A | Aryl and heteroaryl substituted cycloalkyl compounds | RORER PHARMACEUTICAL CORPORATION (US) | 1989-06-27 | — | — | US | disclosed |
| US-4795757-A | Bisarylamines | RORER PHARMACEUTICAL CORPORATION (US) | 1989-01-03 | — | — | US | disclosed |
| US-3985888-A | Methods of inducing sedation using certain spiroalkanone-imides | RICHARDSON-MERRELL INC. (US) | 1976-10-12 | — | — | US | disclosed |
| US-3979444-A | CENTRAL NERVOUS SYSTEM DEPRESSANTS, HYPOTENSIVES | THE UPJOHN COMPANY (US) | 1976-09-07 | — | — | US | disclosed |