Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 5/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | CASP6 | P55212 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.36 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.36 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5752521 | 0.85 | NQO2 (0.48) | NQO2ALDH1A1CYP3A4LCKHTT | |
| SCHEMBL13019239 | 0.85 | NQO2 (0.48) | NQO2ALDH1A1CYP3A4LCKHTT | |
| SCHEMBL3737543 | 0.85 | NQO2 (0.48) | NQO2ALDH1A1CYP3A4LCKHTT | |
| SCHEMBL5753422 | 0.79 | MAPT (0.48) | ALDH1A1CYP3A4HTTMAPTTDP1 | |
| SCHEMBL19762910 | 0.78 | NQO2 (0.47) | NQO2ALDH1A1CYP3A4LCKHTT | |
| SCHEMBL5754880 | 0.75 | ALDH1A1 (0.38) | ALDH1A1HTTMAPTKDM4ESMN1; SMN2 | |
| SCHEMBL5753717 | 0.75 | HTT (0.33) | NQO2ALDH1A1HTTMAPTTDP1 | |
| SCHEMBL5754693 | 0.73 | TYMS (0.46) | NQO2CYP3A4MAPTTDP1RAB9A | |
| SCHEMBL5756383 | 0.72 | NQO2 (0.47) | NQO2ALDH1A1CYP3A4LCKMEN1 | |
| SCHEMBL31355698 | 0.72 | CTSB (0.38) | ALDH1A1MAPTTDP1KDM4EPKM |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1218358-B1 | THERAPEUTIC QUINAZOLINE COMPOUNDS | ASTRAZENECA AB (SE) | 2006-09-13 | — | — | EP | disclosed |
| EP-1218358-A1 | THERAPEUTIC QUINAZOLINE COMPOUNDS | AstraZeneca AB (SE) | 2002-07-03 | — | — | EP | disclosed |
| US-6399603-B1 | QUINAZOLINES; RETARDING APOPTOSIS IN CELLS; INHIBITING CLEAVAGE OF PROTEIN SUBSTRATES BY CASPASE-3; CHEMICAL AND HYDROLYTIC STABILITY | ASTRAZENECA AB (SE) | 2002-06-04 | — | — | US | disclosed |
| WO-2001021598-A1 | THERAPEUTIC QUINAZOLINE COMPOUNDS | ASTRAZENECA AB (SE) | 2001-03-29 | — | — | WO | disclosed |