Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 10/20 | 0.40 |
| ▸ | HTR2A | P28223 | 8/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | PLD1 | Q13393 | 2/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.32 |
| ▸ | NCF1 | P14598 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | KDM5C | P41229 | 1/20 | 0.31 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14659998 | 0.72 | HSD17B10 (0.37) | KDM4EALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL27957909 | 0.71 | MCHR1 (0.35) | HTR2CHTR2AHRH3PLD1ADRB2 | |
| SCHEMBL12214112 | 0.70 | HTR2C (0.46) | HTR2CHTR2AKDM4EMEN1TP53 | |
| SCHEMBL14975241 | 0.70 | MEN1 (0.35) | KDM4EALDH1A1MEN1MAPTMAPK1 | |
| SCHEMBL31372266 | 0.68 | PIK3CA (0.33) | ALDH1A1 | |
| SCHEMBL928949 | 0.67 | HTR7 (0.47) | HTR2CHTR2APLD1KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL25413336 | 0.67 | HTR2C (0.40) | HTR2CHTR2AKDM4EMEN1TP53 | |
| SCHEMBL26914967 | 0.66 | HTR2C (0.42) | HTR2CHTR2AKDM4EALDH1A1MEN1 | |
| SCHEMBL929336 | 0.66 | HTR2A (0.36) | HTR2CHTR2APLD1ADRB2NCF1 | |
| SCHEMBL928542 | 0.66 | — | — |
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-2017101796-A1 | PHTHALAZINONE DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2017-06-22 | — | — | WO | disclosed |