Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29071607 | 0.79 | RAB9A (0.47) | KDM4EMEN1MAPTKMT2AIDO1 | |
| SCHEMBL29071715 | 0.79 | RAB9A (0.47) | MEN1KMT2AMAP4K4ADORA1IDO1 | |
| SCHEMBL29071592 | 0.79 | TDO2 (0.46) | TAAR1ADORA2AMAP4K4ADORA1ADORA2B | |
| SCHEMBL29071601 | 0.77 | RAB9A (0.41) | KDM4EADORA2AMAP4K4ADORA1 | |
| SCHEMBL29071713 | 0.75 | TDO2 (0.50) | KDM4EMAPTKMT2AADORA2AMAP4K4 | |
| SCHEMBL20150481 | 0.69 | MAP4K4 (0.68) | KDM4EMEN1MAPTKMT2ATAAR1 | |
| SCHEMBL198702 | 0.68 | TAAR1 (0.68) | KDM4EMEN1MAPTKMT2ATAAR1 | |
| SCHEMBL18748036 | 0.67 | ADORA2A (0.57) | KDM4EMEN1MAPTKMT2ATAAR1 | |
| SCHEMBL16605628 | 0.66 | TAAR1 (0.65) | KDM4EMEN1MAPTKMT2ATAAR1 | |
| SCHEMBL16605626 | 0.66 | TAAR1 (0.65) | KDM4EMEN1MAPTKMT2ATAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116535356-A | 3-amino-5-phenyl-pyrazole derivative tubulin inhibitor and preparation and medical application thereof | 中国药科大学 | 2023-08-04 | — | — | CN | disclosed |