Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | REN | P00797 | 1/20 | 0.38 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.37 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | ACE | P12821 | 1/20 | 0.36 |
| ▸ | CCR6 | P51684 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27870520 | 0.84 | ITGB3 (0.43) | TSHRCYP3A4ALDH1A1MAPK1TDP1 | |
| SCHEMBL28310493 | 0.75 | CTSL (0.49) | TSHRALDH1A1CTSLCTSBCTSS | |
| SCHEMBL28101620 | 0.75 | CCKBR (0.43) | ERAP2LNPEPALDH1A1CCR6PAX8 | |
| SCHEMBL9306416 | 0.74 | ALDH1A1 (0.43) | TSHRCYP3A4ALDH1A1MAPK1TDP1 | |
| Methyl 3-Phenylpropanoate SCHEMBL28101689 | 0.74 | ABCB1 (0.44) | ALDH1A1TDP1CCR6PAX8ABCB1 | |
| SCHEMBL28110794 | 0.73 | ALDH1A1 (0.46) | TSHRCYP3A4ALDH1A1MAPK1TDP1 | |
| SCHEMBL7298183 | 0.73 | L3MBTL1 (0.47) | LNPEPTSHRCYP3A4ALDH1A1MAPK1 | |
| SCHEMBL6573364 | 0.73 | LTA4H (0.39) | RENLNPEPCCR6PAX8ITGB3 | |
| SCHEMBL11571244 | 0.72 | CTRC (0.45) | TSHRCYP3A4ALDH1A1MAPK1TDP1 | |
| SCHEMBL30744367 | 0.72 | CETP (0.46) | TSHRCYP3A4ALDH1A1MAPK1TDP1 |
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 |