Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 2/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL10552421 | 0.88 | RAB9A (0.43) | MAOAMAOBRAB9ANPC1KMT2A | |
| SCHEMBL10554147 | 0.88 | RAB9A (0.49) | MAOAMAOBRAB9ANPC1KMT2A | |
| SCHEMBL10552024 | 0.88 | NQO1 (0.40) | NQO1SLC6A2SLC6A4SLC6A3MAOA | |
| SCHEMBL10550240 | 0.86 | KDM1A (0.49) | SLC6A2SLC6A4SLC6A3MAOAMAOB | |
| SCHEMBL10554433 | 0.86 | RAB9A (0.41) | NQO1SLC6A2SLC6A4SLC6A3MAOA | |
| SCHEMBL10552461 | 0.85 | RAB9A (0.41) | NQO1SLC6A2SLC6A4SLC6A3MAOA | |
| SCHEMBL10552198 | 0.81 | RAB9A (0.36) | NQO1SLC6A2SLC6A4SLC6A3MAOA | |
| SCHEMBL10552203 | 0.81 | RAB9A (0.36) | NQO1SLC6A2SLC6A4SLC6A3MAOA | |
| SCHEMBL10552194 | 0.81 | RAB9A (0.36) | NQO1SLC6A2SLC6A4SLC6A3MAOA | |
| SCHEMBL10549871 | 0.79 | RAB9A (0.39) | NQO1SLC6A2SLC6A4SLC6A3MAOA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0215120-B1 | CYCLOHEXANE DERIVATIVES | MERCK PATENT GmbH (DE) | 1989-08-23 | — | — | EP | disclosed |
| US-4846998-A | LIQUID CRYSTALS, ESTERS, NITRILES; ETHERS, HYDROCARBONS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1989-07-11 | — | — | US | disclosed |