Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.42 |
| ▸ | DHFR | P00374 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MGMT | P16455 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21223136 | 0.75 | DHFR (0.49) | DHFRKMT2AMAOAMAOBLMNA | |
| SCHEMBL7191430 | 0.70 | ALDH1A1 (0.64) | PIN1MAPTKMT2AHTTHPGD | |
| SCHEMBL1317138 | 0.69 | DHFR (0.54) | DHFR | |
| SCHEMBL28566581 | 0.68 | TSHR (0.53) | PIN1MAPTHTTLMNAHPGD | |
| SCHEMBL27583120 | 0.67 | ALDH1A1 (0.65) | MAPTKMT2AHTTMAOAMAOB | |
| SCHEMBL27672998 | 0.67 | RAB9A (0.56) | PIN1MAPTKMT2AALDH1A1 | |
| SCHEMBL28021054 | 0.67 | CYP1A2 (0.59) | MAPTKMT2AHTTMAPK1HPGD | |
| SCHEMBL27290632 | 0.67 | GPR35 (0.44) | PIN1ALDH1A1 | |
| SCHEMBL5036446 | 0.67 | PIN1 (0.51) | PIN1MAPTMGMTKMT2AHTT | |
| SCHEMBL23412499 | 0.66 | DHFR (0.41) | DHFRMAPTKMT2AMAPK1ALDH1A1 |
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-109970633-A | Pyridine sulfone and its derivative, preparation method and application | 湖南化工研究院有限公司 | 2019-07-05 | — | — | CN | disclosed |