Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ESRRB | O95718 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESRRA | P11474 | 1/20 | 0.43 |
| ▸ | ESRRG | P62508 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | FPR2 | P25090 | 2/20 | 0.42 |
| ▸ | FPR3 | P25089 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL26199223 | 1.00 | ALDH1A1 (0.51) | ALDH1A1HTTMAPTNPC1MAPK1 | |
| SCHEMBL15101001 | 0.88 | CNR1 (0.49) | ALDH1A1HTTMAPTNPC1MAPK1 | |
| SCHEMBL3837654 | 0.86 | HTT (0.51) | ALDH1A1HTTMAPTNPC1MAPK1 | |
| SCHEMBL21399850 | 0.86 | ALDH1A1 (0.51) | ALDH1A1HTTMAPTNPC1MAPK1 | |
| SCHEMBL3837657 | 0.86 | HTT (0.51) | ALDH1A1HTTMAPTNPC1MAPK1 | |
| SCHEMBL660699 | 0.86 | HTT (0.51) | ALDH1A1HTTMAPTNPC1MAPK1 | |
| SCHEMBL8115616 | 0.86 | CYP2D6 (0.57) | ALDH1A1HTTMAPTNPC1MAPK1 | |
| SCHEMBL3805489 | 0.86 | CYP2D6 (0.57) | ALDH1A1HTTMAPTNPC1MAPK1 | |
| SCHEMBL28329046 | 0.85 | MBTD1 (0.48) | ALDH1A1HTTMAPTNPC1MAPK1 | |
| SCHEMBL28679081 | 0.84 | ALDH1A1 (0.49) | ALDH1A1HTTMAPTNPC1MAPK1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116789673-A | Pyrrolo pyrimidine derivative, preparation method thereof, pharmaceutical composition and application | 河北康泰药业有限公司 | 2023-09-22 | — | — | CN | disclosed |
| CN-115776983-A | Heterocyclic immunomodulators | 北京诺诚健华医药科技有限公司 | 2023-03-10 | — | — | CN | disclosed |
| CN-110506044-B | BRD4 inhibitor and preparation and application thereof | 中国科学院上海药物研究所 | 2022-07-05 | — | — | CN | disclosed |
| CN-113896711-A | Heterocyclic immunomodulators | 北京诺诚健华医药科技有限公司 | 2022-01-07 | — | — | CN | disclosed |
| CN-110506044-A | A kind of BRD4 inhibitor and its preparation and application | SHANGHAI INST MATERIA MEDICA CAS | 2019-11-26 | — | — | CN | disclosed |