Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 4/20 | 0.49 |
| ▸ | CRHBP | P24387 | 1/20 | 0.45 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | CASP1 | P29466 | 2/20 | 0.38 |
| ▸ | MPI | P34949 | 1/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.38 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7127770 | 0.90 | TYMS (0.46) | TYMSCRHBPCRHR2CYP1B1PARP1 | |
| SCHEMBL7120083 | 0.89 | TYMS (0.45) | TYMSCRHBPCRHR2CYP1B1PARP1 | |
| SCHEMBL7119781 | 0.86 | TYMS (0.52) | TYMSCRHBPCRHR2CYP1B1PARP1 | |
| SCHEMBL1514252 | 0.80 | APEX1 (0.57) | TYMSCRHBPCRHR2PARP1ALDH1A1 | |
| SCHEMBL7120819 | 0.77 | CYP1B1 (0.47) | CYP1B1ALDH1A1KMT2ALMNAPABPC1 | |
| SCHEMBL7120056 | 0.77 | CRHBP (0.45) | TYMSCRHBPCRHR2PARP1ALDH1A1 | |
| SCHEMBL9264545 | 0.73 | KCNQ2 (0.56) | TYMSCRHBPCRHR2CYP1B1PARP1 | |
| SCHEMBL7130501 | 0.73 | TYMS (0.74) | TYMSCRHBPCRHR2CYP1B1PARP1 | |
| Hydrochloric Acid SCHEMBL9263738 | 0.72 | KCNQ2 (0.55) | TYMSCRHBPCRHR2CYP1B1PARP1 | |
| SCHEMBL9010137 | 0.71 | ELANE (0.42) | PGRTDP1ALDH1A1CASP1SMN1; SMN2 |
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-6667303-B1 | Agonists for serotonin 5-hydroxytryptamine 2C(5HT2C) receptor; 6-(1,4-diazepan-1-yl)benzo(cd)indol-2(1H)-ones, 6-(1,4-diazepan-1-yl)acenaphthylen-1(2H)-ones, and 5-(1,4-diazepan-1-yl)- 2H-naphtho(1,8-cd)isothiazole-1,1-dioxides | WYETH | 2003-12-23 | — | — | US | disclosed |