Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 1/20 | 0.57 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.57 |
| ▸ | BRD4 | O60885 | 1/20 | 0.49 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.48 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.47 |
| ▸ | MCHR2 | Q969V1 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6726161 | 1.00 | HCRTR1 (0.57) | HCRTR1HCRTR2BRD4EPHX1MCHR1 | |
| SCHEMBL6223216 | 0.82 | HCRTR1 (0.60) | HCRTR1HCRTR2BRD4EPHX1MCHR1 | |
| SCHEMBL6223213 | 0.82 | HCRTR1 (0.60) | HCRTR1HCRTR2BRD4EPHX1MCHR1 | |
| SCHEMBL4956334 | 0.79 | OPRD1 (0.59) | HCRTR1HCRTR2BRD4EPHX1MCHR1 | |
| SCHEMBL9042381 | 0.75 | NPC1 (0.44) | RAB9AMAPTALDH1A1HPGDKDM4E | |
| SCHEMBL9042378 | 0.75 | NPC1 (0.44) | RAB9AMAPTALDH1A1HPGDKDM4E | |
| SCHEMBL29540420 | 0.74 | TMEM97 (0.56) | RAB9AHPGDNPC1FKBP1AL3MBTL1 | |
| SCHEMBL22721972 | 0.74 | TMEM97 (0.56) | RAB9AHPGDNPC1FKBP1AL3MBTL1 | |
| SCHEMBL32689943 | 0.74 | MGLL (0.53) | EPHX1SMN1; SMN2MAPTALDH1A1HPGD | |
| SCHEMBL6645335 | 0.74 | LMNA (0.41) | RAB9ASMN1; SMN2MAPTHPGDNPC1 |
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-6677354-B2 | TREATING SLEEP, BRAIN, SEXUAL, CARDIOVASCULAR, NERVOUS SYSTEM, PSYCHOLOGICAL, GLANDULAR, AND GASTROINTESTINAL DISORDERS | SMITHKLINE BEECHAM P.L.C. (GB) | 2004-01-13 | — | — | US | disclosed |