Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | CTSL | P07711 | 1/20 | 0.53 |
| ▸ | CTSB | P07858 | 1/20 | 0.53 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 6/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | VNN1 | O95497 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.47 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.47 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.47 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | METAP2 | P50579 | 1/20 | 0.46 |
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 SCHEMBL28101667 | 0.85 | L3MBTL1 (0.64) | MEN1KMT2ASIRT2L3MBTL1TDP1 | |
| SCHEMBL9545043 | 0.82 | KMT2A (0.54) | MEN1KMT2ASIRT2RAB9AHTT | |
| Phenyl Propionic Acid SCHEMBL28551997 | 0.82 | FFAR1 (0.56) | MEN1KMT2ASIRT2L3MBTL1TDP1 | |
| Methyl 3-Phenylpropanoate SCHEMBL28101596 | 0.81 | ALDH1A1 (0.65) | MEN1KMT2AL3MBTL1RAB9AHTT | |
| Methyl 3-Phenylpropanoate SCHEMBL28004669 | 0.79 | TDP1 (0.59) | KMT2ASIRT2L3MBTL1TDP1RAB9A | |
| Methyl 3-Phenylpropanoate SCHEMBL168711 | 0.78 | TDP1 (0.68) | KMT2ATDP1RAB9AHTTALDH1A1 | |
| Methyl 3-Phenylpropanoate SCHEMBL28101590 | 0.77 | L3MBTL1 (0.64) | SIRT2L3MBTL1TDP1RAB9AHTT | |
| Methyl 3-Phenylpropanoate SCHEMBL27315471 | 0.77 | TDP1 (0.66) | KMT2ATDP1RAB9AHTTALDH1A1 | |
| Methyl 3-Phenylpropanoate SCHEMBL1893702 | 0.77 | TDP1 (0.66) | KMT2ATDP1RAB9AHTTALDH1A1 | |
| Methyl 3-Phenylpropanoate SCHEMBL27447160 | 0.77 | TDP1 (0.66) | KMT2ATDP1RAB9AHTTALDH1A1 |
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 |