Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 2/20 | 0.48 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.47 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.47 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.45 |
| ▸ | HPGDS | O60760 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | LDHA | P00338 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20204393 | 0.96 | DHODH (0.48) | DHODHPSMB5HSD17B1HSD17B2CYP3A4 | |
| SCHEMBL27430958 | 0.91 | CYP11B1 (0.48) | DHODHPSMB5HSD17B1HSD17B2CYP3A4 | |
| SCHEMBL13910992 | 0.90 | HSD17B1 (0.55) | HSD17B1HSD17B2CYP11B1CYP11B2HPGDS | |
| SCHEMBL17306618 | 0.89 | NPC1 (0.44) | DHODHPSMB5HSD17B1HSD17B2CYP3A4 | |
| SCHEMBL15506245 | 0.89 | CYP3A4 (0.49) | DHODHPSMB5HSD17B1HSD17B2CYP3A4 | |
| SCHEMBL22040656 | 0.88 | HSD17B1 (0.53) | DHODHHSD17B1HSD17B2CYP11B1CYP11B2 | |
| SCHEMBL12956772 | 0.88 | HSD17B1 (0.53) | DHODHHSD17B1HSD17B2CYP11B1CYP11B2 | |
| SCHEMBL19037251 | 0.87 | MEN1 (0.48) | DHODHHSD17B1HSD17B2CYP3A4CYP11B1 | |
| SCHEMBL12973167 | 0.86 | CCR1 (0.46) | DHODHHSD17B1HSD17B2CYP3A4CYP11B1 | |
| SCHEMBL5149208 | 0.86 | HSD17B1 (0.53) | HSD17B1HSD17B2CYP3A4CYP11B1CYP11B2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015182769-A1 | QUINAZOLINE AND BENZOQUINAZOLINE COMPOUNDS AND PRODUCTION AND USE OF SAME | 東ソー株式会社 | 2015-12-03 | — | — | WO | disclosed |