Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.50 |
| ▸ | NOS1 | P29475 | 1/20 | 0.50 |
| ▸ | NOS2 | P35228 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 5/20 | 0.44 |
| ▸ | RAB9A | P51151 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9938378 | 0.85 | NOS3 (0.53) | NOS3NOS1NOS2NPC1RAB9A | |
| SCHEMBL8021974 | 0.84 | AKR1B1 (0.41) | NOS3NOS1NOS2NPC1RAB9A | |
| SCHEMBL13645494 | 0.74 | NOS3 (0.52) | NOS3NOS1NOS2NPC1RAB9A | |
| SCHEMBL28228058 | 0.74 | NOS3 (0.47) | NOS3NOS1NOS2NPC1RAB9A | |
| SCHEMBL27457493 | 0.73 | NOS3 (0.55) | NOS3NOS1NOS2NPC1RAB9A | |
| SCHEMBL85992 | 0.69 | NOS3 (0.42) | NOS3NOS1NOS2NPC1RAB9A | |
| SCHEMBL11048325 | 0.69 | ALDH1A1 (0.41) | NOS3NOS1NOS2ALDH1A1GAA | |
| SCHEMBL28406756 | 0.68 | NOS3 (0.63) | NOS3NOS1NOS2NPC1RAB9A | |
| SCHEMBL27782381 | 0.68 | NOS3 (0.45) | NOS3NOS1NOS2NPC1RAB9A | |
| SCHEMBL6069929 | 0.68 | NOS3 (0.49) | NOS3NOS1NOS2NPC1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4555513-A | 1,2 Dihydro- and 1,2,3,4-tetrahydro quinolylacetic acids and analgesic use thereof | NIPPON ZOKI PHARMACEUTICAL CO. (JP) | 1985-11-26 | — | — | US | disclosed |