Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | TYMS | P04818 | 4/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PABPC1 | P11940 | 2/20 | 0.35 |
| ▸ | DNMT1 | P26358 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13302890 | 0.79 | ALDH1A1 (0.56) | ALDH1A1HPGDHSD17B10L3MBTL1CYP3A4 | |
| SCHEMBL8363928 | 0.74 | ALDH1A1 (0.45) | ALDH1A1HPGDHSD17B10L3MBTL1CYP3A4 | |
| SCHEMBL7119783 | 0.66 | ALDH1A1 (0.40) | ALDH1A1HPGDHSD17B10CYP3A4TDP1 | |
| SCHEMBL2701449 | 0.66 | ALDH1A1 (0.59) | ALDH1A1HPGDHSD17B10L3MBTL1CYP3A4 | |
| SCHEMBL9156855 | 0.64 | ACHE (0.47) | ALDH1A1MEN1KMT2AACHEPARP1 | |
| SCHEMBL5669681 | 0.63 | MEN1 (0.36) | ALDH1A1HPGDHSD17B10L3MBTL1CYP3A4 | |
| SCHEMBL12726414 | 0.63 | ALDH1A1 (0.56) | ALDH1A1HPGDHSD17B10L3MBTL1CYP3A4 | |
| SCHEMBL13302891 | 0.63 | ACHE (0.65) | ALDH1A1HPGDHSD17B10TSHRCES2 | |
| SCHEMBL16975948 | 0.63 | ACHE (0.33) | L3MBTL1BCHECES1MEN1KMT2A | |
| SCHEMBL677629 | 0.63 | MEN1 (0.55) | ALDH1A1HPGDHSD17B10CYP3A4CES2 |
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 |