Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.55 |
| ▸ | PCSK7 | Q16549 | 1/20 | 0.55 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | VKORC1 | Q9BQB6 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8945417 | 0.86 | TDP1 (0.48) | NQO1ALDH1A1LMNATDP1NPC1 | |
| SCHEMBL8945685 | 0.82 | NQO1 (0.51) | NQO1ALDH1A1MEN1KMT2ACYP3A4 | |
| SCHEMBL6957985 | 0.82 | NQO1 (0.60) | NQO1ALDH1A1MEN1KMT2ACYP3A4 | |
| SCHEMBL8945595 | 0.82 | ALDH1A1 (0.55) | NQO1ALDH1A1MEN1KMT2ACYP3A4 | |
| SCHEMBL1647670 | 0.80 | VKORC1 (0.64) | NQO1ALDH1A1MEN1KMT2ACYP3A4 | |
| SCHEMBL8945527 | 0.79 | NQO1 (0.61) | NQO1ALDH1A1MEN1KMT2ACYP3A4 | |
| SCHEMBL8945458 | 0.79 | BCL2 (0.53) | NQO1ALDH1A1MEN1KMT2ACYP3A4 | |
| SCHEMBL1647685 | 0.78 | VKORC1 (0.65) | NQO1ALDH1A1MEN1KMT2ACYP3A4 | |
| SCHEMBL8945430 | 0.78 | NPC1 (0.62) | NQO1ALDH1A1MEN1KMT2ACYP3A4 | |
| SCHEMBL8806732 | 0.78 | NQO1 (0.71) | NQO1ALDH1A1MEN1KMT2ACYP3A4 |
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 |