Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | GRM5 | P41594 | 2/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 2/20 | 0.40 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.40 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | KMO | O15229 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17307030 | 0.99 | CYP2A6 (0.46) | CYP2A6HPGDGRM5CYP19A1TSHR | |
| SCHEMBL17306685 | 0.94 | HPGD (0.43) | CYP2A6HPGDGRM5CYP19A1TSHR | |
| SCHEMBL17307028 | 0.92 | HPGD (0.50) | HPGDCYP19A1TSHRNPC1TP53 | |
| SCHEMBL17307024 | 0.92 | HPGD (0.50) | HPGDCYP19A1TSHRNPC1TP53 | |
| SCHEMBL17306863 | 0.92 | HPGD (0.42) | CYP2A6HPGDGRM5CYP19A1TSHR | |
| SCHEMBL17307063 | 0.91 | CYP2A6 (0.49) | CYP2A6HPGDGRM5CYP19A1TSHR | |
| SCHEMBL17307052 | 0.91 | HPGD (0.51) | HPGDCYP19A1TSHRNPC1TP53 | |
| SCHEMBL17307039 | 0.91 | HPGD (0.51) | HPGDCYP19A1TSHRNPC1TP53 | |
| SCHEMBL17307035 | 0.91 | HPGD (0.51) | HPGDCYP19A1TSHRNPC1TP53 | |
| SCHEMBL17306581 | 0.91 | HPGD (0.51) | HPGDCYP19A1TSHRNPC1TP53 |
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 |