Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | RORC | P51449 | 1/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 8/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | SCN5A | Q14524 | 5/20 | 0.39 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1819918 | 0.90 | NPC1 (0.48) | NPC1NR1H3CYP2C9RORCNR1H2 | |
| SCHEMBL1818007 | 0.89 | CYP2C9 (0.56) | NPC1CYP2C9GAAPOLBCYP3A4 | |
| SCHEMBL1818577 | 0.89 | NPC1 (0.58) | NPC1CYP2C9POLBCYP3A4CYP2D6 | |
| SCHEMBL1816318 | 0.88 | NPC1 (0.47) | NPC1CYP2C9GAAPOLBCYP3A4 | |
| SCHEMBL1819920 | 0.88 | NPC1 (0.47) | NPC1NR1H3CYP2C9RORCNR1H2 | |
| SCHEMBL1818967 | 0.88 | CYP2C9 (0.48) | NPC1NR1H3CYP2C9RORCNR1H2 | |
| SCHEMBL1817694 | 0.86 | POLB (0.46) | NPC1CYP2C9GAAPOLBCYP3A4 | |
| SCHEMBL1819412 | 0.86 | NPC1 (0.45) | NPC1NR1H3CYP2C9RORCNR1H2 | |
| SCHEMBL1818733 | 0.86 | CYP2C9 (0.47) | NPC1CYP2C9POLBCYP3A4CYP2D6 | |
| SCHEMBL1816628 | 0.85 | POLB (0.45) | NPC1CYP2C9GAAPOLBCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011057892-A1 | 2,3-DIHYDROBENZOXAZINE AND 2,3-DIHYDROBENZOTHIAZINE DERIVATES AS HIF-INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES | ELARA PHARMACEUTICALS GMBH (DE) | 2011-05-19 | — | — | WO | claimed |
| WO-2011057892-A1 | 2,3-DIHYDROBENZOXAZINE AND 2,3-DIHYDROBENZOTHIAZINE DERIVATES AS HIF-INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES | ELARA PHARMACEUTICALS GMBH (DE) | 2011-05-19 | — | — | WO | disclosed |