Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | CES2 | O00748 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.49 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.49 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9336536 | 1.00 | NPSR1 (0.55) | NPSR1CES2GAAMAOBKCNK3 | |
| SCHEMBL9334869 | 0.87 | NPSR1 (0.54) | NPSR1CES2GAAMAOBALDH1A1 | |
| SCHEMBL9334873 | 0.87 | NPSR1 (0.54) | NPSR1CES2GAAMAOBALDH1A1 | |
| SCHEMBL10367237 | 0.81 | CES2 (0.61) | NPSR1CES2GAAMAOBKCNK3 | |
| SCHEMBL7623521 | 0.81 | CES2 (0.71) | NPSR1CES2GAAKCNK3ALDH1A1 | |
| SCHEMBL9334707 | 0.80 | NPC1 (0.50) | CES2GAAKCNK3ALDH1A1POLB | |
| SCHEMBL9334698 | 0.80 | NPC1 (0.50) | CES2GAAKCNK3ALDH1A1POLB | |
| SCHEMBL19746355 | 0.79 | NPSR1 (0.57) | NPSR1CES2GAAMAOBKCNK3 | |
| SCHEMBL31355711 | 0.78 | CES2 (0.65) | NPSR1CES2GAAALDH1A1POLB | |
| SCHEMBL40351 | 0.78 | CES2 (0.65) | NPSR1CES2GAAALDH1A1POLB |
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-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 |
| EP-0183994-B1 | TRICYCLIC PYRIDONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1990-03-21 | — | — | EP | 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 |