Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MITF | O75030 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.38 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2624868 | 0.97 | ALDH1A1 (0.50) | ALDH1A1TDP1CYP3A4TSHRMAPK1 | |
| Aniline SCHEMBL28095009 | 0.89 | MAOA (0.52) | ALDH1A1TDP1CYP3A4TSHRMAPK1 | |
| SCHEMBL15929961 | 0.85 | TDP1 (0.56) | ALDH1A1TDP1CYP3A4TSHRMAPK1 | |
| SCHEMBL6454577 | 0.84 | ALDH1A1 (0.38) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL14339478 | 0.79 | PRSS1 (0.58) | CYP3A4TSHRMAOAMAPTMEN1 | |
| SCHEMBL12457069 | 0.78 | ALDH1A1 (0.46) | ALDH1A1TDP1CYP3A4TSHRMAPK1 | |
| SCHEMBL17297207 | 0.76 | DRD1 (0.40) | ALDH1A1MAPK1SMN1; SMN2GAARAB9A | |
| SCHEMBL9809027 | 0.76 | ALDH1A1 (0.41) | ALDH1A1TDP1CYP3A4TSHRMAPK1 | |
| SCHEMBL5049780 | 0.76 | ALDH1A1 (0.41) | ALDH1A1TDP1CYP3A4TSHRMAPK1 | |
| SCHEMBL28406606 | 0.75 | ALDH1A1 (0.31) | ALDH1A1CYP3A4MAPTGAA |
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-107108638-A | Piperidyl PyrazolopyrimidinonecGMP and application thereof | 拜耳制药股份公司 | 2017-08-29 | — | — | CN | disclosed |