Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.41 |
| ▸ | HTR2A | P28223 | 4/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14438275 | 0.83 | MEN1 (0.43) | KCNH2SLC6A4HTR2AOPRL1CYP3A4 | |
| SCHEMBL2647752 | 0.79 | MEN1 (0.57) | KCNH2OPRL1CYP3A4MEN1CYP1A2 | |
| SCHEMBL25453552 | 0.79 | MEN1 (0.43) | SLC6A4CYP3A4MEN1CYP1A2CYP2D6 | |
| SCHEMBL12964268 | 0.79 | SLC6A4 (0.59) | KCNH2SLC6A4HTR2ASLC6A2SLC6A3 | |
| SCHEMBL21345583 | 0.77 | LMNA (0.47) | KCNH2SLC6A4HTR2AMEN1CYP1A2 | |
| SCHEMBL19862553 | 0.76 | CXCR3 (0.43) | KCNH2SLC6A4HTR2AOPRL1CYP3A4 | |
| SCHEMBL17449705 | 0.75 | CYP3A4 (0.43) | KCNH2SLC6A4HTR2ACYP3A4MEN1 | |
| SCHEMBL15432470 | 0.74 | MEN1 (0.49) | KCNH2SLC6A4HTR2ACYP3A4MEN1 | |
| SCHEMBL30995430 | 0.74 | CYP3A4 (0.46) | KCNH2SLC6A4HTR2ACYP3A4MEN1 | |
| SCHEMBL698696 | 0.74 | CYP3A4 (0.46) | KCNH2SLC6A4HTR2ACYP3A4MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019170086-A1 | ACYL-SUBSTITUTED OXAZINO-QUINAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF | 北京赛特明强医药科技有限公司 | 2019-09-12 | — | — | WO | disclosed |