Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 3/20 | 0.66 |
| ▸ | KCNK3 | O14649 | 3/20 | 0.62 |
| ▸ | KCNK9 | Q9NPC2 | 3/20 | 0.62 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.53 |
| ▸ | F2R | P25116 | 1/20 | 0.52 |
| ▸ | ATR | Q13535 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | P2RX1 | P51575 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | PRKCI | P41743 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL27463747 | 0.88 | PTGS1 (0.55) | PTGS1KCNK3KCNK9ATRALDH1A1 | |
| SCHEMBL5332281 | 0.85 | KCNK3 (0.75) | PTGS1KCNK3KCNK9RXFP1F2R | |
| SCHEMBL7213018 | 0.83 | KCNK3 (0.63) | PTGS1KCNK3KCNK9RXFP1F2R | |
| SCHEMBL734924 | 0.80 | CYP1A2 (0.59) | PTGS1RXFP1ALDH1A1HPGDKDM4E | |
| SCHEMBL678924 | 0.80 | PTGS1 (0.72) | PTGS1KCNK3KCNK9RXFP1F2R | |
| SCHEMBL2061662 | 0.80 | GAA (0.49) | PTGS1KCNK3KCNK9LMNAGAA | |
| SCHEMBL392794 | 0.79 | ALDH1A1 (0.59) | PTGS1ALDH1A1LMNAMEN1HPGD | |
| SCHEMBL357846 | 0.79 | PTGS1 (0.55) | PTGS1KCNK3KCNK9ATRALDH1A1 | |
| SCHEMBL11583305 | 0.79 | KCNK3 (0.58) | PTGS1KCNK3KCNK9RXFP1F2R | |
| SCHEMBL28799328 | 0.79 | PTGS1 (0.62) | PTGS1KCNK3KCNK9RXFP1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020239050-A1 | 2-(2-CHLORO-4-METHYLPHENYL)QUINAZOLINE-4(3H)-KETONE COMPOUND AND MEDICAL USE THEREOF | 中国人民解放军军事科学院军事医学研究院 | 2020-12-03 | — | — | WO | disclosed |
| CN-110041273-B | 2- (2-chloro-4-methylphenyl) quinazoline-4 (3H) -ketone compound and medical application thereof | 中国人民解放军军事科学院军事医学研究院 | 2020-10-20 | — | — | CN | disclosed |
| CN-110041273-A | 2- (the chloro- 4- aminomethyl phenyl of 2-) quinazoline -4 (3H) -one class compound and its medical usage | 中国人民解放军军事科学院军事医学研究院 | 2019-07-23 | — | — | CN | disclosed |