Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 4/20 | 0.34 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.34 |
| ▸ | TDP2 | O95551 | 1/20 | 0.33 |
| ▸ | CDC25B | P30305 | 1/20 | 0.33 |
| ▸ | CASP6 | P55212 | 1/20 | 0.33 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | PLAU | P00749 | 1/20 | 0.33 |
| ▸ | METAP2 | P50579 | 2/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31267442 | 0.82 | CYP2A6 (0.39) | CYP2A6ALDH1A1KDM4EMEN1MAPT | |
| SCHEMBL30510787 | 0.78 | CYP1A2 (0.37) | CYP2A6AHRPTPN1BACE1APP | |
| SCHEMBL2092077 | 0.78 | CYP2A6 (0.37) | CYP2A6ALDH1A1KDM4EMEN1MAPT | |
| SCHEMBL27488106 | 0.74 | APAF1 (0.36) | CYP2A6MEN1MAPTKMT2ATDP2 | |
| SCHEMBL9998180 | 0.74 | KIF11 (0.36) | ALDH1A1MAPTPIM1BACE1 | |
| SCHEMBL155366 | 0.74 | ERN1 (0.38) | CYP2A6ALDH1A1KDM4EMEN1MAPT | |
| SCHEMBL7633234 | 0.72 | PIM1 (0.45) | CYP2A6ALDH1A1KDM4EMEN1MAPT | |
| SCHEMBL10966532 | 0.72 | TAAR1 (0.33) | ALDH1A1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL11684409 | 0.71 | MAOA (0.43) | CYP2A6ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL30095448 | 0.71 | MAPT (0.42) | ALDH1A1MEN1MAPTKMT2APTPN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023165581-A1 | PYRIDINE DERIVATIVE AND USE THEREOF | 四川汇宇制药股份有限公司 | 2023-09-07 | — | — | WO | disclosed |
| EP-3761978-A1 | INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASE 5 (PRMT5), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF | PHARMABLOCK SCIENCES (NANJING), INC. (CN) | 2021-01-13 | — | — | EP | disclosed |
| WO-2019173804-A1 | INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASE 5 (PRMT5), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF | PHARMABLOCK SCIENCES (NANJING), INC. (CN) | 2019-09-12 | — | — | WO | disclosed |
| CN-109071498-A | Kinase inhibitor and preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2018-12-21 | — | — | CN | disclosed |