Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 3/20 | 0.49 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SCN1A | P35498 | 1/20 | 0.40 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL5320131 | 0.80 | NQO2 (0.58) | NQO2CA2MTNR1ACASP1CA12 | |
| SCHEMBL5320850 | 0.77 | BCHE (0.37) | NQO2CA2BCHEKDM4EALDH1A1 | |
| SCHEMBL31017584 | 0.74 | CYP1A2 (0.54) | NQO2MTNR1AHPGDCYP1A2CYP2C9 | |
| SCHEMBL5254582 | 0.74 | CYP1A2 (0.54) | NQO2MTNR1AHPGDCYP1A2CYP2C9 | |
| SCHEMBL5513121 | 0.74 | CA2 (0.57) | NQO2CA2MTNR1ACA12CA1 | |
| SCHEMBL497025 | 0.74 | NQO2 (0.54) | NQO2CA2MTNR1AKDM4ECYP1A2 | |
| SCHEMBL6511791 | 0.74 | NQO2 (0.54) | NQO2CA2MTNR1AHPGDCA12 | |
| SCHEMBL31078221 | 0.74 | NQO2 (0.54) | NQO2CA2MTNR1AKDM4ECYP1A2 | |
| SCHEMBL5609972 | 0.74 | NQO2 (0.63) | NQO2CA2MTNR1ACYP1A2CYP2C9 | |
| SCHEMBL31300446 | 0.74 | NQO2 (0.54) | NQO2CA2MTNR1AHPGDCA12 |
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-2007108744-A2 | NOVEL QUINAZOLINES AS 5-HT6 MODULATORS | ASTRAZENECA AB (SE) | 2007-09-27 | — | — | WO | disclosed |
| WO-2007108743-A2 | NOVEL QUINAZOLINES AS 5-HT6 MODULATORS II | ASTRAZENECA AB (SE) | 2007-09-27 | — | — | WO | disclosed |