Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 17/20 | 0.47 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7118969 | 0.77 | TYMS (0.49) | CYP1B1PDE7AALDH1A1KDM4EMEN1 | |
| SCHEMBL25301053 | 0.71 | TYMS (0.49) | CYP1B1ALDH1A1POLBRXFP1KDM4E | |
| SCHEMBL30881766 | 0.71 | TYMS (0.49) | CYP1B1ALDH1A1POLBRXFP1KDM4E | |
| SCHEMBL7123117 | 0.69 | KMT2A (0.49) | ALDH1A1POLBKDM4EMEN1NPC1 | |
| SCHEMBL7127770 | 0.69 | TYMS (0.46) | CYP1B1ALDH1A1POLBKDM4EMEN1 | |
| SCHEMBL7129106 | 0.68 | MEN1 (0.46) | ALDH1A1POLBKDM4EMEN1NPC1 | |
| SCHEMBL7120083 | 0.68 | TYMS (0.45) | CYP1B1ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL77179 | 0.65 | CYP1B1 (0.61) | CYP1B1ALDH1A1POLBRXFP1KDM4E | |
| SCHEMBL29583035 | 0.65 | CYP1B1 (0.61) | CYP1B1ALDH1A1POLBRXFP1KDM4E | |
| SCHEMBL12280957 | 0.65 | CYP1A2 (0.45) | CYP1B1ALDH1A1POLBRXFP1KDM4E |
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 |