Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CXCR4 | P61073 | 5/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CHKA | P35790 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | PHGDH | O43175 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9419378 | 1.00 | ALDH1A1 (0.50) | ALDH1A1CXCR4CA2CHKAKDM4E | |
| SCHEMBL14299867 | 0.97 | ALDH1A1 (0.53) | ALDH1A1CXCR4CA2CHKAKDM4E | |
| N-Methylpiperidine SCHEMBL9009614 | 0.97 | ALDH1A1 (0.53) | ALDH1A1CXCR4CA2CHKAKDM4E | |
| N-Methylpiperidine SCHEMBL1038414 | 0.97 | ALDH1A1 (0.53) | ALDH1A1CXCR4CA2CHKAKDM4E | |
| SCHEMBL14299960 | 0.97 | ALDH1A1 (0.53) | ALDH1A1CXCR4CA2CHKAKDM4E | |
| SCHEMBL16790161 | 0.97 | ALDH1A1 (0.53) | ALDH1A1CXCR4CA2CHKAKDM4E | |
| SCHEMBL17519525 | 0.97 | ALDH1A1 (0.44) | ALDH1A1CXCR4CA2CHKAKDM4E | |
| SCHEMBL4135000 | 0.94 | ALDH1A1 (0.47) | ALDH1A1CXCR4CA2CHKAKDM4E | |
| N-Methyl Pyrrolidine (Nmp) SCHEMBL4124763 | 0.94 | ALDH1A1 (0.47) | ALDH1A1CXCR4CA2CHKAKDM4E | |
| SCHEMBL16203347 | 0.91 | CXCR4 (0.42) | ALDH1A1CXCR4SMN1; SMN2TDP1PHGDH |
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-3805234-A1 | AROMATIC HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF | Guangzhou Henovcom Bioscience Co., Ltd. (CN) | 2021-04-14 | — | — | EP | disclosed |
| US-9783903-B2 | Additives for electroplating baths | ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) | 2017-10-10 | — | — | US | disclosed |
| WO-2012027960-A1 | QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF | 山东轩竹医药科技有限公司 (CN) | 2012-03-08 | — | — | WO | disclosed |