Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL7185633 | 0.84 | TSHR (0.49) | ALDH1A1TDP1MAPTHPGDLMNA | |
| SCHEMBL30334130 | 0.84 | ALDH1A1 (0.53) | ALDH1A1MAPTHPGDLMNATSHR | |
| SCHEMBL18526138 | 0.83 | ALDH1A1 (0.50) | ALDH1A1TDP1MAPTHPGDLMNA | |
| SCHEMBL17420660 | 0.82 | ALDH1A1 (0.49) | ALDH1A1TDP1MAPTHPGDLMNA | |
| SCHEMBL7347726 | 0.79 | ALDH1A1 (0.46) | ALDH1A1TDP1MAPTHPGDLMNA | |
| SCHEMBL28841025 | 0.79 | ALDH1A1 (0.46) | ALDH1A1TDP1MAPTHPGDLMNA | |
| SCHEMBL27558112 | 0.79 | CHRNB2 (0.56) | ALDH1A1TDP1MAPTHPGDLMNA | |
| SCHEMBL5227849 | 0.77 | ALDH1A1 (0.45) | ALDH1A1MAPTHPGDL3MBTL1TSHR | |
| SCHEMBL3930397 | 0.77 | TSPO (0.54) | ALDH1A1TDP1MAPTHPGDLMNA | |
| Benzyl Dimethylcarbamate SCHEMBL5134244 | 0.77 | ALDH1A1 (0.62) | ALDH1A1TDP1MAPTHPGDLMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118005638-A | Pyrazolo [3,4-d ] pyrimidine structure-containing compound, and preparation method and application thereof | 西安新通药物研究股份有限公司 | 2024-05-10 | — | — | CN | disclosed |
| US-6294557-B1 | ANALGESIC AT CENTRAL NERVOUS SYSTEM IN THE MAMMALIAN SUBJECT. ALSO, THESE COMPOUNDS ARE INFLAMMATORY PAIN CAUSED, FOR EXAMPLE BY BURNS (INDUCED BY A CONTACT WITH HEAT, ACID OR THE OTHER RHEUMATISM OR THE LIKE, IN THE SAID SUBJECT. | PFIZER INC. | 2001-09-25 | — | — | US | disclosed |