Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | CES2 | O00748 | 4/20 | 0.47 |
| ▸ | CES1 | P23141 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | CRHBP | P24387 | 2/20 | 0.47 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1548167 | 0.87 | ATM (0.55) | ALDH1A1CES2CES1TSHRTDP1 | |
| SCHEMBL7419641 | 0.78 | ALDH1A1 (0.52) | ALDH1A1TDP1CRHBPCRHR2TP53 | |
| SCHEMBL27405553 | 0.75 | ALDH1A1 (0.56) | ALDH1A1CES2CES1TSHRTDP1 | |
| SCHEMBL28455320 | 0.75 | ALDH1A1 (0.51) | ALDH1A1TSHRTDP1CRHBPCRHR2 | |
| Methyl Alcohol SCHEMBL28251314 | 0.74 | ALDH1A1 (0.55) | ALDH1A1CES2CES1TSHRTDP1 | |
| SCHEMBL27891021 | 0.73 | ALDH1A1 (0.50) | ALDH1A1CES2CES1TSHRTDP1 | |
| SCHEMBL9799081 | 0.73 | ALDH1A1 (0.53) | ALDH1A1TSHRTDP1CRHBPCRHR2 | |
| SCHEMBL792021 | 0.73 | ALDH1A1 (0.62) | ALDH1A1TSHRTDP1CRHBPCRHR2 | |
| SCHEMBL27908078 | 0.72 | ALDH1A1 (0.53) | ALDH1A1CES2CES1TSHRTDP1 | |
| SCHEMBL2441231 | 0.72 | LMNA (0.59) | ALDH1A1CES2CES1TSHRTDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7709479-B1 | Quinazoline derivatives and their use as pharmaceuticals | ASTRAZENECA (SE) | 2010-05-04 | — | — | US | disclosed |
| EP-1218354-A1 | QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | AstraZeneca AB (SE) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001021596-A1 | QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | ASTRAZENECA AB (SE) | 2001-03-29 | — | — | WO | disclosed |