Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 4/20 | 0.41 |
| ▸ | CNR1 | P21554 | 3/20 | 0.39 |
| ▸ | CNR2 | P34972 | 3/20 | 0.39 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.38 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.37 |
| ▸ | VKORC1 | Q9BQB6 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8945481 | 0.73 | NQO1 (0.42) | NQO1KDM4ENPC1ALDH1A1HPGD | |
| SCHEMBL8945632 | 0.73 | NQO1 (0.51) | NQO1VKORC1 | |
| SCHEMBL8945599 | 0.71 | VKORC1 (0.42) | NQO1VKORC1KDM4E | |
| SCHEMBL8945541 | 0.71 | NQO1 (0.40) | NQO1HSD17B3VKORC1KDM4EALDH1A1 | |
| SCHEMBL8945575 | 0.70 | NQO1 (0.40) | NQO1VKORC1 | |
| SCHEMBL2052391 | 0.68 | NQO1 (0.65) | NQO1VKORC1KDM4ENPC1ALDH1A1 | |
| SCHEMBL28752008 | 0.67 | KDM4E (0.56) | NQO1HSD17B3KDM4ENPC1ALDH1A1 | |
| SCHEMBL15851235 | 0.67 | ALDH1A1 (0.63) | NQO1VKORC1KDM4ENPC1ALDH1A1 | |
| SCHEMBL15851233 | 0.67 | ALDH1A1 (0.63) | NQO1VKORC1KDM4ENPC1ALDH1A1 | |
| SCHEMBL15851236 | 0.67 | ALDH1A1 (0.63) | NQO1VKORC1KDM4ENPC1ALDH1A1 |
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-5510375-A | VIRICIDES TREATING INFECTION CAUSED BY HUMAN IMMUNODEFICIENCY VIRUS AND AIDS | WARNER-LAMBERT COMPANY (US) | 1996-04-23 | — | — | US | disclosed |