Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KA5 | O75582 | 2/20 | 0.48 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.42 |
| ▸ | PLAU | P00749 | 2/20 | 0.42 |
| ▸ | F12 | P00748 | 1/20 | 0.42 |
| ▸ | NCF1 | P14598 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL266030 | 0.84 | CYP2A6 (0.47) | RPS6KA5NPY5RKDM4ENPC1RAB9A | |
| SCHEMBL29923403 | 0.80 | PLAU (0.60) | NPY5RKDM4ENPC1RAB9AL3MBTL1 | |
| SCHEMBL199273 | 0.80 | PLAU (0.60) | NPY5RKDM4ENPC1RAB9AL3MBTL1 | |
| SCHEMBL30522769 | 0.78 | PLAU (0.58) | NPY5RKDM4ENPC1RAB9AL3MBTL1 | |
| SCHEMBL31175962 | 0.74 | CYP2A6 (0.52) | NPY5RKDM4ENPC1RAB9AL3MBTL1 | |
| SCHEMBL28252191 | 0.74 | HTR1A (0.51) | NPY5RKDM4ENPC1RAB9AL3MBTL1 | |
| SCHEMBL29651118 | 0.72 | RPS6KA5 (0.50) | RPS6KA5CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL28743633 | 0.72 | RPS6KA5 (0.50) | RPS6KA5CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL12223316 | 0.72 | PLAU (0.56) | NPY5RKDM4ENPC1RAB9AL3MBTL1 | |
| SCHEMBL13978866 | 0.72 | PLAU (0.56) | NPY5RKDM4ENPC1RAB9AL3MBTL1 |
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-2022063140-A1 | PYRIMIDINE AND PYRIDINE DERIVATIVES AS HPK1 MODULATOR AND METHODS USING SAME | SHENZHEN IONOVA LIFE SCIENCE CO., LTD. (CN) | 2022-03-31 | — | — | WO | disclosed |