Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H3 | Q13133 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CPT1A | P50416 | 4/20 | 0.40 |
| ▸ | HTR6 | P50406 | 4/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | PKLR | P30613 | 2/20 | 0.40 |
| ▸ | CPT2 | P23786 | 1/20 | 0.40 |
| ▸ | CPT1B | Q92523 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1816941 | 0.90 | CYP2C9 (0.53) | NR1H3NPC1CYP2C9CPT1APKM | |
| SCHEMBL1819206 | 0.90 | PKM (0.42) | NR1H3NPC1CYP2C9CPT1AHTR6 | |
| SCHEMBL1821637 | 0.89 | PKM (0.48) | NPC1CYP2C9PKMPKLRMEN1 | |
| SCHEMBL1817952 | 0.88 | CYP11B1 (0.44) | CYP2C9CPT1ACPT1BCYP11B1CYP11B2 | |
| SCHEMBL1817603 | 0.87 | CYP2C9 (0.42) | NR1H3NPC1CYP2C9CPT1APKM | |
| SCHEMBL1819614 | 0.87 | NPC1 (0.57) | NPC1CYP2C9HTR6PKMPKLR | |
| SCHEMBL1817317 | 0.87 | CYP2C9 (0.44) | NR1H3NPC1CYP2C9CPT1APKM | |
| SCHEMBL12818236 | 0.85 | PDE3B (0.35) | NR1H3NPC1CYP2C9CPT1APKM | |
| SCHEMBL1818362 | 0.84 | PIK3CA (0.40) | NPC1CYP2C9CPT1APKMPKLR | |
| SCHEMBL12817789 | 0.83 | PKM (0.42) | NPC1CYP2C9CPT1APKMPKLR |
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 |