Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.31 |
| ▸ | GGPS1 | O95749 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.31 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10885131 | 0.81 | MAPK1 (0.37) | CYP3A4TDP1HPGDALDH1A1GABRA1 | |
| SCHEMBL8093673 | 0.80 | GABRA1 (0.48) | CYP3A4TDP1HPGDALDH1A1GABRA1 | |
| SCHEMBL27609924 | 0.78 | CYP2A6 (0.38) | CYP3A4TDP1HPGDALDH1A1GABRA1 | |
| SCHEMBL11464398 | 0.78 | TDP1 (0.35) | CYP3A4TDP1HPGDALDH1A1GABRA1 | |
| SCHEMBL1646810 | 0.76 | CYP3A4 (0.42) | CYP3A4GABRA1GABRB2TRPA1 | |
| SCHEMBL162277 | 0.75 | RAB9A (0.40) | CYP3A4TDP1HPGDALDH1A1MAPK1 | |
| SCHEMBL29648862 | 0.75 | RAB9A (0.40) | CYP3A4TDP1HPGDALDH1A1MAPK1 | |
| SCHEMBL7704445 | 0.73 | CYP3A4 (0.32) | CYP3A4TDP1HPGDALDH1A1MAPK1 | |
| SCHEMBL10316536 | 0.73 | TDP1 (0.42) | CYP3A4TDP1HPGDALDH1A1GABRA1 | |
| SCHEMBL30111366 | 0.73 | TDP1 (0.42) | CYP3A4TDP1HPGDALDH1A1GABRA1 |
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-6362342-B1 | BIOSYNTHESIS; DRUG LIBRARIES | LION BIOSCIENCE AG (DE) | 2002-03-26 | — | — | US | disclosed |