Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 4/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | TP53 | P04637 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.57 |
| ▸ | PCSK7 | Q16549 | 1/20 | 0.57 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.57 |
| ▸ | VKORC1 | Q9BQB6 | 6/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8806970 | 0.88 | NQO1 (0.55) | NQO1ALDH1A1LMNATP53TSHR | |
| SCHEMBL7349467 | 0.83 | CYP2C9 (0.61) | NQO1ALDH1A1LMNATP53TSHR | |
| SCHEMBL14078666 | 0.82 | NQO1 (0.69) | NQO1ALDH1A1LMNATP53TSHR | |
| SCHEMBL7354624 | 0.76 | CYP2C9 (0.69) | NQO1ALDH1A1LMNATP53TSHR | |
| SCHEMBL8809316 | 0.76 | NQO1 (0.56) | NQO1ALDH1A1LMNATP53TSHR | |
| SCHEMBL6141726 | 0.76 | NQO1 (0.72) | NQO1ALDH1A1LMNATP53TSHR | |
| SCHEMBL6589409 | 0.74 | NQO1 (0.75) | NQO1ALDH1A1LMNATP53TSHR | |
| Dicumarol SCHEMBL33891 | 0.74 | NQO1 (1.00) | NQO1ALDH1A1LMNATP53TSHR | |
| Dicumarol SCHEMBL29703314 | 0.74 | NQO1 (1.00) | NQO1ALDH1A1LMNATP53TSHR | |
| Dicumarol SCHEMBL7454901 | 0.74 | NQO1 (1.00) | NQO1ALDH1A1LMNATP53TSHR |
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-0682663-A1 | 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS | PHARMACIA & UPJOHN COMPANY (US) | 1995-11-22 | — | — | EP | claimed |
| EP-0682663-A1 | 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS | PHARMACIA & UPJOHN COMPANY (US) | 1995-11-22 | — | — | EP | disclosed |