Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 5/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.36 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28542566 | 1.00 | MAPT (0.39) | MAPTCYP3A4MAOBMEN1KMT2A | |
| SCHEMBL28530765 | 1.00 | MAPT (0.39) | MAPTCYP3A4MAOBMEN1KMT2A | |
| SCHEMBL3795426 | 0.71 | ACHE (0.42) | MAPTCYP3A4MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL28217399 | 0.70 | ESR1 (0.56) | KMT2ACNR2CA1CA2ALDH1A1 | |
| SCHEMBL5174129 | 0.69 | PBRM1 (0.54) | MAPTNPSR1MAPK1CA1CA2 | |
| SCHEMBL2106150 | 0.69 | TSHR (0.41) | KMT2ANPSR1TSHRRAB9AF2 | |
| SCHEMBL10454320 | 0.66 | ALDH1A1 (0.39) | MEN1KMT2ASMN1; SMN2MAPK1ALDH1A1 | |
| SCHEMBL11983745 | 0.66 | CYP3A4 (0.56) | MAPTCYP3A4MAOBALOX5PTGS2 | |
| SCHEMBL10676347 | 0.65 | PDE4B (0.52) | MAPTCYP3A4MAOBCNR2TP53 | |
| SCHEMBL10710548 | 0.65 | IDO1 (0.50) | KMT2ANPSR1SMN1; SMN2AKR1C3CA1 |
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-108101755-B | Method for preparing chiral 4- (2-propargyl) phenol compound | 中国科学院大连化学物理研究所 | 2021-03-02 | — | — | CN | disclosed |