Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.55 |
| ▸ | RAB9A | P51151 | 4/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.55 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 3/20 | 0.42 |
| ▸ | DRD3 | P35462 | 3/20 | 0.42 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.42 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12778355 | 0.90 | NPC1 (0.51) | NPC1RAB9AMAPTHSD17B1ALDH1A1 | |
| SCHEMBL29793289 | 0.85 | NPC1 (0.67) | NPC1RAB9AMAPTHSD17B1ALDH1A1 | |
| SCHEMBL21584068 | 0.85 | NPC1 (0.67) | NPC1RAB9AMAPTHSD17B1ALDH1A1 | |
| SCHEMBL1466022 | 0.81 | NPC1 (0.67) | NPC1RAB9AMAPTHSD17B1ALDH1A1 | |
| SCHEMBL31048932 | 0.81 | NPC1 (0.67) | NPC1RAB9AMAPTHSD17B1ALDH1A1 | |
| SCHEMBL33121 | 0.81 | ALDH1A1 (0.68) | NPC1RAB9AMAPTHSD17B1ALDH1A1 | |
| SCHEMBL22627409 | 0.79 | NPC1 (0.65) | NPC1RAB9AMAPTHSD17B1ALDH1A1 | |
| SCHEMBL9419020 | 0.79 | NPC1 (0.65) | NPC1RAB9AMAPTHSD17B1ALDH1A1 | |
| SCHEMBL9143187 | 0.79 | MAPT (0.44) | NPC1RAB9AMAPTHSD17B1ALDH1A1 | |
| SCHEMBL19231579 | 0.78 | NPC1 (0.58) | NPC1RAB9AMAPTHSD17B1ALDH1A1 |
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-0315071-B1 | Benzocyclohepten derivatives, their preparation and utilisation for pharmaceutics | HOFFMANN LA ROCHE (CH) | 1994-07-20 | — | — | EP | disclosed |
| US-4992574-A | Skin disorders, antiallergens, antiinflammatory agent | HOFFMANN-LA ROCHE INC. (US) | 1991-02-12 | — | — | US | disclosed |
| EP-0315071-A2 | Benzocyclohepten derivatives, their preparation and utilisation for pharmaceutics | F. HOFFMANN-LA ROCHE AG (CH) | 1989-05-10 | — | — | EP | disclosed |