Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | SCN1A | P35498 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL9774054 | 1.00 | NPC1 (0.44) | NPC1CRBNMAOAMAOBLMNA | |
| SCHEMBL9774063 | 1.00 | NPC1 (0.44) | NPC1CRBNMAOAMAOBLMNA | |
| SCHEMBL9774092 | 0.86 | NPC1 (0.39) | NPC1CRBNMAOAMAOBLMNA | |
| SCHEMBL9774016 | 0.86 | NPC1 (0.39) | NPC1CRBNMAOAMAOBLMNA | |
| SCHEMBL9774081 | 0.86 | NPC1 (0.39) | NPC1CRBNMAOAMAOBLMNA | |
| SCHEMBL9774099 | 0.86 | NPC1 (0.39) | NPC1CRBNMAOAMAOBLMNA | |
| SCHEMBL9774021 | 0.86 | NPC1 (0.39) | NPC1CRBNMAOAMAOBLMNA | |
| SCHEMBL9774031 | 0.86 | NPC1 (0.39) | NPC1CRBNMAOAMAOBLMNA | |
| SCHEMBL19829094 | 0.81 | — | — | |
| SCHEMBL9773905 | 0.80 | NQO1 (0.36) | NPC1CRBNMAOAMAOBLMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5013478-A | Electromagnetic radiation resistance; miscibility; dielectrics; rotation and guest/host cells | HOFFMANN-LA ROCHE INC. (US) | 1991-05-07 | — | — | US | disclosed |
| EP-0122389-B1 | LIQUID CRYSTAL COMPONENTS HAVING AN ALKENYL CHAIN | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1987-08-05 | — | — | EP | disclosed |
| US-4676604-A | RADIATION RESISTANCE; MISCIBILITY; ROTATION ELECTROPTICAL CELLS | HOFFMANN-LA ROCHE INC. (US) | 1987-06-30 | — | — | US | disclosed |
| US-4565425-A | Liquid crystals | HOFFMANN-LA ROCHE INC. (US) | 1986-01-21 | — | — | US | disclosed |
| EP-0122389-A2 | Liquid crystal components having an alkenyl chain | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1984-10-24 | — | — | EP | disclosed |