Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA4 | P22748 | 2/20 | 0.36 |
| ▸ | CA6 | P23280 | 2/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | DGKA | P23743 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8413448 | 0.92 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL9013991 | 0.90 | NPC1 (0.49) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL27837041 | 0.88 | NPC1 (0.49) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL6036885 | 0.88 | NPC1 (0.56) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL29852107 | 0.87 | NPC1 (0.49) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL29851897 | 0.87 | KDM4E (0.50) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL11764318 | 0.85 | DGKA (0.45) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL28358461 | 0.84 | CYP2D6 (0.42) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL29852147 | 0.83 | NPC1 (0.46) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL6675357 | 0.83 | NPC1 (0.55) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD |
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-0533378-B1 | Process for producing octahydrocoumarin or derivative thereof | SUMITOMO CHEMICAL CO (JP) | 1996-12-04 | — | — | EP | disclosed |
| EP-0533378-A1 | Process for producing octahydrocoumarin or derivative thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1993-03-24 | — | — | EP | disclosed |
| US-4526966-A | Polyalkyldiazaspirodecane derivatives | HOECHST AKTIENGESELLSCHAFT (DE) | 1985-07-02 | — | — | US | disclosed |