Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | TYMS | P04818 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | S100A4 | P26447 | 1/20 | 0.30 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.30 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1151568 | 0.79 | ALDH1A1 (0.59) | ALDH1A1GAAABCB1HPGDKDM4E | |
| SCHEMBL7812602 | 0.78 | ALDH1A1 (0.50) | ALDH1A1GAAABCB1HPGDKDM4E | |
| SCHEMBL1861726 | 0.75 | ALDH1A1 (0.48) | ALDH1A1GAAABCB1HPGDKDM4E | |
| SCHEMBL9455878 | 0.75 | ALDH1A1 (0.62) | ALDH1A1GAAABCB1HPGDKDM4E | |
| SCHEMBL9455879 | 0.74 | GABRA1 (0.49) | ALDH1A1GAAABCB1HPGDKDM4E | |
| SCHEMBL8004072 | 0.74 | ALDH1A1 (0.54) | ALDH1A1GAAABCB1KDM4EMAPT | |
| SCHEMBL11631564 | 0.74 | ALDH1A1 (0.47) | ALDH1A1GAAKMT2AMRGPRX4 | |
| SCHEMBL11665812 | 0.72 | ALDH1A1 (0.46) | ALDH1A1GAAABCB1HPGDKDM4E | |
| SCHEMBL7819409 | 0.72 | ALDH1A1 (0.49) | ALDH1A1GAAABCB1HPGDKDM4E | |
| SCHEMBL7834366 | 0.71 | BRD4 (0.48) | ALDH1A1GAAKDM4EMAPTMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110372550-A | Aryl ether and application thereof | 佩洛通治疗公司 | 2019-10-25 | — | — | CN | disclosed |
| CN-105530923-B | Aryl ethers and their use | 佩洛通治疗公司 | 2019-07-23 | — | — | CN | disclosed |
| CN-105530923-A | Aryl ethers and their use | PELOTON THERAPEUTICS INC | 2016-04-27 | — | — | CN | disclosed |