Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 8/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7355500 | 0.99 | NQO1 (0.39) | NQO1HPGDTDP1NPC1ALDH1A1 | |
| SCHEMBL7353594 | 0.98 | NQO1 (0.38) | NQO1HPGDTDP1NPC1ALDH1A1 | |
| SCHEMBL7348477 | 0.93 | NQO1 (0.39) | NQO1ALDH1A1KMT2ATSHRCYP1A2 | |
| SCHEMBL7355225 | 0.89 | NQO1 (0.40) | NQO1ALDH1A1KMT2ATSHRCYP1A2 | |
| SCHEMBL7350055 | 0.88 | NQO1 (0.37) | NQO1KMT2ATSHR | |
| SCHEMBL7360324 | 0.88 | NQO1 (0.39) | NQO1NPC1ALDH1A1RAB9A | |
| SCHEMBL7350245 | 0.87 | NQO1 (0.40) | NQO1ALDH1A1KMT2ATSHRCYP1A2 | |
| SCHEMBL7353065 | 0.87 | NQO1 (0.38) | NQO1 | |
| SCHEMBL7354790 | 0.87 | NQO1 (0.38) | NQO1KMT2ATSHR | |
| SCHEMBL7361349 | 0.86 | NQO1 (0.38) | NQO1HPGDKMT2A |
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-B1 | 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS | UPJOHN CO (US) | 2001-04-18 | — | — | EP | claimed |
| WO-1994018188-A1 | 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL[B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS | THE UPJOHN COMPANY (US) | 1994-08-18 | — | — | WO | disclosed |