Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 6/20 | 0.58 |
| ▸ | VKORC1 | Q9BQB6 | 10/20 | 0.56 |
| ▸ | LMNA | P02545 | 4/20 | 0.53 |
| ▸ | TP53 | P04637 | 4/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.53 |
| ▸ | PCSK7 | Q16549 | 1/20 | 0.53 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | CRHBP | P24387 | 1/20 | 0.45 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8945662 | 0.80 | NQO1 (0.57) | NQO1VKORC1LMNATP53TSHR | |
| SCHEMBL8538658 | 0.78 | ABCB1 (0.44) | TP53ALDH1A1MEN1KMT2ACYP1A2 | |
| SCHEMBL1648186 | 0.75 | NQO1 (1.00) | NQO1VKORC1LMNATP53TSHR | |
| SCHEMBL4958234 | 0.73 | NQO1 (0.73) | NQO1VKORC1LMNATP53TSHR | |
| Dicumarol SCHEMBL33891 | 0.72 | NQO1 (1.00) | NQO1VKORC1LMNATP53TSHR | |
| Dicumarol SCHEMBL29703314 | 0.72 | NQO1 (1.00) | NQO1VKORC1LMNATP53TSHR | |
| Dicumarol SCHEMBL7454901 | 0.72 | NQO1 (1.00) | NQO1VKORC1LMNATP53TSHR | |
| SCHEMBL1648119 | 0.72 | NQO1 (0.66) | NQO1VKORC1LMNATP53TSHR | |
| SCHEMBL16040590 | 0.72 | NQO1 (0.67) | NQO1VKORC1LMNATP53TSHR | |
| SCHEMBL7352670 | 0.71 | LMNA (0.60) | NQO1VKORC1LMNATP53TSHR |
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 |