Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.65 |
| ▸ | MEN1 | O00255 | 4/20 | 0.65 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.65 |
| ▸ | HTT | P42858 | 1/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Methyl 3-Phenylpropanoate SCHEMBL28101669 | 0.87 | MAPT (0.62) | ALDH1A1KMT2AMEN1AGTR1HTT | |
| SCHEMBL10936594 | 0.85 | MEN1 (0.63) | ALDH1A1KMT2AMEN1AGTR1HTT | |
| Methyl 3-Phenylpropanoate SCHEMBL28101617 | 0.81 | PARP1 (0.56) | ALDH1A1KMT2AMEN1HTTHPGD | |
| SCHEMBL12087531 | 0.78 | MEN1 (0.55) | ALDH1A1KMT2AMEN1AGTR1HTT | |
| SCHEMBL894417 | 0.78 | TSHR (1.00) | ALDH1A1KMT2AMEN1TSHRSMN1; SMN2 | |
| SCHEMBL29848105 | 0.78 | TSHR (1.00) | ALDH1A1KMT2AMEN1TSHRSMN1; SMN2 | |
| SCHEMBL1108437 | 0.77 | KMT2A (0.60) | ALDH1A1KMT2AMEN1AGTR1HTT | |
| Methyl 3-Phenylpropanoate SCHEMBL28101625 | 0.77 | ALDH1A1 (0.56) | ALDH1A1KMT2AMEN1HPGDRAB9A | |
| Hydrochloric Acid SCHEMBL7389430 | 0.76 | TSHR (0.96) | ALDH1A1KMT2AMEN1TSHRSMN1; SMN2 | |
| Methane SCHEMBL28159024 | 0.76 | TSHR (0.96) | ALDH1A1KMT2AMEN1HTTTSHR |
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-106008665-A | Compounds having tumor proliferation inhibition function, and preparation method and application thereof | 北京大学 | 2016-10-12 | — | — | CN | disclosed |