Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.46 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9334707 | 1.00 | NPC1 (0.50) | NPC1RAB9ACES2CES1ALDH1A1 | |
| SCHEMBL9334916 | 0.86 | NPC1 (0.49) | NPC1RAB9ACES2CES1ALDH1A1 | |
| SCHEMBL13002180 | 0.86 | NPC1 (0.49) | NPC1RAB9ACES2CES1ALDH1A1 | |
| SCHEMBL9334924 | 0.86 | NPC1 (0.49) | NPC1RAB9ACES2CES1ALDH1A1 | |
| SCHEMBL15084652 | 0.83 | LMNA (0.52) | NPC1CES2CES1ALDH1A1HDAC1 | |
| SCHEMBL27721503 | 0.83 | NPC1 (0.47) | NPC1RAB9ACES2CES1ALDH1A1 | |
| SCHEMBL9336541 | 0.80 | NPSR1 (0.55) | RAB9ACES2ALDH1A1KDM4EKMT2A | |
| SCHEMBL9336536 | 0.80 | NPSR1 (0.55) | RAB9ACES2ALDH1A1KDM4EKMT2A | |
| SCHEMBL9338574 | 0.80 | SMN1; SMN2 (0.45) | NPC1RAB9ACES2CES1ALDH1A1 | |
| SCHEMBL9338569 | 0.80 | SMN1; SMN2 (0.45) | NPC1RAB9ACES2CES1ALDH1A1 |
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-5321021-A | Tricyclic pyridine derivatives | HOFFMANN-LA ROCHE INC. (US) | 1994-06-14 | — | — | US | disclosed |
| US-5036066-A | Muscle relaxants, anxiolytic agents, anticonvulsants | HOFFMANN-LA ROCHE INC. (US) | 1991-07-30 | — | — | US | disclosed |
| US-4889848-A | 4-OXO-4H-BENZO(A)QUINOLIZINES; MUSCLE RELAXANTS; SEDATIVES; ANTICONVULSANTS; ANXIOLYTIC AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1989-12-26 | — | — | US | disclosed |
| US-4735940-A | Tricyclic pyridine derivatives and pharmaceutical compositions | HOFFMANN-LA ROCHE INC. (US) | 1988-04-05 | — | — | US | disclosed |