Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MPO | P05164 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL21243271 | 0.90 | CHRM2 (0.59) | CHRM2TAAR1MPOMEN1MAPT | |
| O-Xylene SCHEMBL28092337 | 0.83 | ALDH1A1 (0.58) | CHRM2ALDH1A1KDM4EL3MBTL1MAPT | |
| SCHEMBL5221050 | 0.82 | CHRM2 (0.67) | CHRM2ALDH1A1KDM4ETP53L3MBTL1 | |
| SCHEMBL20615042 | 0.82 | CHRM2 (0.52) | CHRM2TAAR1MPOMEN1MAPT | |
| SCHEMBL10725177 | 0.80 | TAAR1 (0.52) | CHRM2TAAR1MPOMEN1MAPT | |
| Hydrochloric Acid SCHEMBL9207321 | 0.79 | CHRM2 (0.49) | CHRM2TAAR1MPOTP53MEN1 | |
| SCHEMBL42669 | 0.79 | TAAR1 (0.60) | CHRM2ALDH1A1TAAR1CA12CA1 | |
| SCHEMBL29369717 | 0.79 | TAAR1 (0.60) | CHRM2ALDH1A1TAAR1CA12CA1 | |
| SCHEMBL3207836 | 0.79 | ITGB3 (0.49) | CHRM2ALDH1A1TAAR1NOTUMMEN1 | |
| SCHEMBL4135922 | 0.78 | MPO (0.69) | TAAR1KDM4EMPOCA12CA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0677049-A1 | QUINAZOLINE DERIVATIVES | YUHAN CORPORATION, LTD. (KR) | 1995-10-18 | — | — | EP | disclosed |
| WO-1994014795-A1 | QUINAZOLINE DERIVATIVES | YUHAN CORPORATION (KR) | 1994-07-07 | — | — | WO | disclosed |