Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.47 |
| ▸ | ATM | Q13315 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | PNMT | P11086 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | CASP1 | P29466 | 2/20 | 0.42 |
| ▸ | CASP7 | P55210 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | HTR7 | P34969 | 2/20 | 0.40 |
| ▸ | HTR2B | P41595 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | PABPC1 | P11940 | 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 | |
|---|---|---|---|---|
| SCHEMBL28385797 | 1.00 | ALDH1A1 (0.47) | ALDH1A1HSD17B10TSHRMAPK1ATM | |
| SCHEMBL30940327 | 0.87 | ALDH1A1 (0.41) | ALDH1A1HSD17B10TSHRMAPK1ATM | |
| SCHEMBL16872526 | 0.85 | ALDH1A1 (0.39) | ALDH1A1HSD17B10TSHRMAPK1ATM | |
| SCHEMBL30163133 | 0.83 | PNMT (0.52) | ALDH1A1PNMTHPGDCASP7PGR | |
| SCHEMBL3082712 | 0.83 | ALDH1A1 (0.44) | ALDH1A1HSD17B10TSHRMAPK1ATM | |
| SCHEMBL827870 | 0.83 | PNMT (0.40) | ALDH1A1HSD17B10TSHRMAPK1ATM | |
| SCHEMBL21224123 | 0.81 | PNMT (0.44) | ALDH1A1PNMTHPGDPGRKDM4E | |
| SCHEMBL30529851 | 0.81 | PNMT (0.44) | ALDH1A1PNMTHPGDPGRKDM4E | |
| SCHEMBL30080808 | 0.81 | PNMT (0.44) | ALDH1A1PNMTHPGDPGRKDM4E | |
| SCHEMBL22076938 | 0.80 | DNMT1 (0.41) | ALDH1A1HSD17B10TSHRMAPK1ATM |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112961140-B | Naphthoquinone heterocyclic compound and application thereof | 北京云基科技股份有限公司 | 2023-02-17 | — | — | CN | disclosed |
| CN-112175009-B | P-containing multi-heterocyclic structure compound and application thereof | 北京燕化集联光电技术有限公司 | 2022-11-22 | — | — | CN | disclosed |
| CN-111875618-B | Compound with multi-heterocyclic structure and application thereof | 北京燕化集联光电技术有限公司 | 2022-11-11 | — | — | CN | disclosed |
| CN-114805381-A | Organic material containing heterocyclic structure and application thereof | 北京云基科技有限公司 | 2022-07-29 | — | — | CN | disclosed |
| CN-114573601-A | Compound containing indenothiophene dioxide structure and application thereof | 北京燕化集联光电技术有限公司 | 2022-06-03 | — | — | CN | disclosed |
| CN-112625042-B | Organic electroluminescent material and application thereof | 北京燕化集联光电技术有限公司 | 2022-04-01 | — | — | CN | disclosed |