Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | HPGD | P15428 | 4/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | CASP1 | P29466 | 2/20 | 0.59 |
| ▸ | MPI | P34949 | 1/20 | 0.59 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.59 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.59 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.58 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | UBE2N | P61088 | 2/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | CASP7 | P55210 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7120833 | 0.96 | POLB (0.60) | ALDH1A1HPGDSMN1; SMN2CASP1MPI | |
| SCHEMBL4595655 | 0.77 | TRPA1 (0.59) | ALDH1A1CYP1B1GAAHSD17B10TRPA1 | |
| SCHEMBL31538672 | 0.77 | TRPA1 (0.59) | ALDH1A1CYP1B1GAAHSD17B10TRPA1 | |
| SCHEMBL24317507 | 0.76 | ALDH1A1 (0.48) | ALDH1A1HPGDSMN1; SMN2CASP1MPI | |
| SCHEMBL9720971 | 0.74 | HPGD (0.70) | ALDH1A1HPGDSMN1; SMN2CASP1MPI | |
| SCHEMBL6270684 | 0.74 | ALDH1A1 (1.00) | ALDH1A1HPGDSMN1; SMN2CASP1MPI | |
| SCHEMBL29437299 | 0.74 | ALDH1A1 (1.00) | ALDH1A1HPGDSMN1; SMN2CASP1MPI | |
| SCHEMBL12930224 | 0.74 | TRPA1 (0.63) | ALDH1A1CYP1B1GAATRPA1 | |
| SCHEMBL7120096 | 0.73 | CYP1B1 (0.54) | ALDH1A1HPGDSMN1; SMN2CASP1CYP1B1 | |
| SCHEMBL3027897 | 0.73 | TRPA1 (0.64) | ALDH1A1CYP1B1GAATRPA1 |
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 |