Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGER4 | P35408 | 3/20 | 0.39 |
| ▸ | PTGER2 | P43116 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.33 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.33 |
| ▸ | REN | P00797 | 1/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | CTSE | P14091 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22042030 | 0.77 | EPHX2 (0.40) | KMT2ACYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL28097300 | 0.74 | ALDH1A1 (0.39) | KMT2AP2RY14KCNH2DRD2CYP2D6 | |
| SCHEMBL28097302 | 0.74 | BRD4 (0.42) | MRGPRX4TTRALDH1A1 | |
| SCHEMBL7603456 | 0.71 | KMT2A (0.40) | KMT2ACYP2D6CYP2C9KDM4EALDH1A1 | |
| SCHEMBL31752008 | 0.70 | KMT2A (0.68) | KMT2AHDAC1ALDH1A1 | |
| SCHEMBL28149958 | 0.69 | TYMS (0.41) | KMT2ACYP2D6CYP2C9KDM4E | |
| SCHEMBL28321833 | 0.68 | PARP1 (0.51) | — | |
| SCHEMBL28097260 | 0.68 | BRD4 (0.41) | KMT2ACYP2D6ALDH1A1 | |
| SCHEMBL31038288 | 0.66 | AKR1B1 (0.40) | KMT2AHDAC1HDAC6KDM4EALDH1A1 | |
| SCHEMBL28234956 | 0.66 | P2RX4 (0.34) | KMT2AALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104230827-B | 1-(aryl methyl) quinazoline-2,4 (1H, 3H)-diketone is as PARP inhibitor and application thereof | 南京英派药业有限公司 | 2016-10-26 | — | — | CN | disclosed |