Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | PNMT | P11086 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 4/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7499710 | 1.00 | GABRA1 (0.46) | GABRA1GABRB2ALDH1A1HPGDPNMT | |
| SCHEMBL248573 | 0.79 | PNMT (0.56) | GABRA1GABRB2ALDH1A1HPGDPNMT | |
| SCHEMBL248417 | 0.79 | IDO1 (0.50) | GABRA1GABRB2ALDH1A1PNMTIDO1 | |
| SCHEMBL29473927 | 0.79 | IDO1 (0.50) | GABRA1GABRB2ALDH1A1PNMTIDO1 | |
| SCHEMBL9275883 | 0.77 | IDO1 (0.48) | GABRA1GABRB2ALDH1A1PNMTIDO1 | |
| Hydrochloric Acid SCHEMBL11666235 | 0.77 | IDO1 (0.48) | GABRA1GABRB2ALDH1A1PNMTIDO1 | |
| Benzene SCHEMBL28148562 | 0.77 | IDO1 (0.48) | GABRA1GABRB2ALDH1A1PNMTIDO1 | |
| SCHEMBL7499718 | 0.76 | GABRA1 (0.46) | GABRA1GABRB2ALDH1A1HPGDPNMT | |
| SCHEMBL1908482 | 0.76 | GABRA1 (0.66) | GABRA1GABRB2ALDH1A1HPGDMAPT | |
| SCHEMBL1116662 | 0.75 | IDO1 (0.46) | GABRA1GABRB2ALDH1A1PNMTIDO1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1181295-A2 | TRICYCLIC BENZOYLCYCLOHEXANEDIONE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2002-02-27 | — | — | EP | disclosed |
| WO-2000073311-A2 | TRICYCLIC BENZOYLCYCLOHEXANEDIONE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2000-12-07 | — | — | WO | disclosed |