Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 7/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21079169 | 0.81 | XDH (0.49) | XDHKDM4EUSP2ALDH1A1S1PR1 | |
| SCHEMBL9034199 | 0.81 | XDH (0.49) | XDHKDM4EUSP2ALDH1A1 | |
| SCHEMBL7072323 | 0.80 | NOS2 (0.52) | XDHS1PR1S1PR3 | |
| SCHEMBL2115285 | 0.80 | XDH (0.48) | XDHKDM4EUSP2ALDH1A1S1PR1 | |
| SCHEMBL16951550 | 0.80 | XDH (0.48) | XDHKDM4EUSP2ALDH1A1S1PR1 | |
| SCHEMBL8799381 | 0.80 | XDH (0.48) | XDHKDM4EUSP2ALDH1A1S1PR1 | |
| SCHEMBL1293570 | 0.80 | XDH (0.48) | XDH | |
| SCHEMBL22272207 | 0.80 | XDH (0.48) | XDHKDM4EUSP2ALDH1A1 | |
| SCHEMBL25693085 | 0.80 | KDM4E (0.66) | XDHKDM4EUSP2ALDH1A1 | |
| SCHEMBL31602 | 0.80 | XDH (0.52) | XDH |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3492465-B1 | S1P1 AGONIST AND APPLICATION THEREOF | SHIJIAZHUANG SAGACITY NEW DRUG DEV CO LTD (CN) | 2021-03-24 | — | — | EP | disclosed |
| EP-3492465-A1 | S1P1 AGONIST AND APPLICATION THEREOF | Shijiazhuang Sagacity New Drug Development Co., Ltd. (CN) | 2019-06-05 | — | — | EP | disclosed |
| WO-2012136111-A1 | PHENYLPROPIONIC ACID COMPOUND, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF | 中国人民解放军军事医学科学院毒物药物研究所 (CN) | 2012-10-11 | — | — | WO | disclosed |