Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | MPI | P34949 | 1/20 | 0.53 |
| ▸ | CDC25B | P30305 | 3/20 | 0.49 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | CASP6 | P55212 | 1/20 | 0.40 |
| ▸ | NQO1 | P15559 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL3959232 | 0.77 | NQO2 (0.55) | NQO2ALDH1A1KDM4EMEN1HPGD | |
| SCHEMBL29351048 | 0.76 | NQO2 (1.00) | NQO2ALDH1A1KDM4EMEN1HPGD | |
| SCHEMBL9052405 | 0.76 | ALDH1A1 (0.76) | NQO2ALDH1A1KDM4EMEN1HPGD | |
| SCHEMBL5147716 | 0.76 | NQO2 (1.00) | NQO2ALDH1A1KDM4EMEN1HPGD | |
| SCHEMBL28681 | 0.76 | NQO2 (1.00) | NQO2ALDH1A1KDM4EMEN1HPGD | |
| SCHEMBL31001020 | 0.76 | ALDH1A1 (0.76) | NQO2ALDH1A1KDM4EMEN1HPGD | |
| Formaldehyde SCHEMBL27590428 | 0.76 | NQO2 (0.87) | NQO2ALDH1A1KDM4EMEN1HPGD | |
| Naphthalene SCHEMBL25439100 | 0.74 | NQO2 (0.95) | NQO2ALDH1A1KDM4EMEN1HPGD | |
| SCHEMBL7305016 | 0.74 | CYP1A2 (0.46) | NQO2ALDH1A1KDM4EMEN1HPGD | |
| Bicarbonate SCHEMBL9815910 | 0.74 | NQO2 (0.83) | NQO2ALDH1A1KDM4EMEN1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-5629406-A | AMINO ACID DERIVATIVES | SANKYO COMPANY, LIMITED (JP) | 1997-05-13 | — | — | US | disclosed |
| EP-0587311-A1 | Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use | SANKYO COMPANY LIMITED (JP) | 1994-03-16 | — | — | EP | disclosed |