Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP2A13 | Q16696 | 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 | |
|---|---|---|---|---|
| SCHEMBL8217795 | 0.82 | ALDH1A1 (0.47) | DPP4HPGDALDH1A1CYP3A4KMT2A | |
| SCHEMBL8215220 | 0.82 | KMT2A (0.43) | DPP4HPGDALDH1A1CYP3A4KMT2A | |
| SCHEMBL25130124 | 0.81 | HPGD (0.68) | HPGDALDH1A1CYP3A4KMT2AL3MBTL1 | |
| SCHEMBL390246 | 0.79 | DPP4 (0.56) | DPP4HPGDALDH1A1CYP3A4KMT2A | |
| SCHEMBL8220301 | 0.75 | DPP4 (0.54) | DPP4HPGDALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL8217925 | 0.75 | HSP90AA1 (0.41) | DPP4HPGDALDH1A1CYP3A4KMT2A | |
| SCHEMBL10048200 | 0.73 | LMNA (0.54) | HPGDALDH1A1CYP3A4KMT2AL3MBTL1 | |
| SCHEMBL4211224 | 0.73 | CA12 (0.50) | DPP4HPGDALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL30753174 | 0.73 | TRAP1 (0.40) | HPGDALDH1A1CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL8216227 | 0.72 | ALDH1A1 (0.48) | DPP4HPGDALDH1A1CYP3A4CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8188275-B2 | hydrolase enzyme inhibors such as 2-(6-Chloro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-benzonitrile | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-05-29 | — | — | US | claimed |