Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | HPGD | P15428 | 1/20 | 0.60 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HSPB1 | P04792 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | SNCA | P37840 | 2/20 | 0.36 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | VCAM1 | P19320 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10687053 | 0.87 | ALDH1A1 (0.60) | ALDH1A1HPGDATMTDP1PDE7A | |
| SCHEMBL10712226 | 0.81 | ALDH1A1 (0.62) | ALDH1A1HPGDTDP1SMN1; SMN2L3MBTL1 | |
| SCHEMBL25786902 | 0.80 | ALDH1A1 (0.60) | ALDH1A1HPGDMAPTMAPK1CYP1A2 | |
| SCHEMBL10956541 | 0.80 | ALDH1A1 (0.60) | ALDH1A1HPGDTDP1PDE7ASMN1; SMN2 | |
| SCHEMBL28784502 | 0.80 | ALDH1A1 (0.60) | ALDH1A1HPGDMAPK1CYP1A2SNCA | |
| SCHEMBL1265288 | 0.80 | ALDH1A1 (0.55) | ALDH1A1HPGDTDP1SMN1; SMN2MAPT | |
| SCHEMBL8148611 | 0.79 | ALDH1A1 (0.54) | ALDH1A1HPGDATMTDP1SMN1; SMN2 | |
| SCHEMBL2080664 | 0.78 | ALDH1A1 (0.57) | ALDH1A1HPGDATMTDP1SMN1; SMN2 | |
| SCHEMBL23648164 | 0.77 | TDP1 (0.53) | ALDH1A1ATMTDP1PDE7AHTT | |
| SCHEMBL194408 | 0.77 | ATM (0.53) | ALDH1A1ATMTDP1PDE7AHTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016110237-A1 | Α-CARBOLINE COMPOUND , PREPARATION METHOD THEREFOR AND USES THEREOF | 中国科学院上海药物研究所 | 2016-07-14 | — | — | WO | disclosed |
| CN-101805265-B | Synthesis method of 2-nitro-4-substituted phenylacetic acid | YIXING ZHONGYU PHARMCHEM TECHNOLOGY CO LTD | 2013-02-06 | — | — | CN | disclosed |
| CN-101805265-A | Synthesis method of 2-nitro-4-substituted phenylacetic acid | YIXING ZHONGYV MEDICINE TECHNOLOGY CO LTD | 2010-08-18 | — | — | CN | disclosed |