Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21711088 | 0.86 | CYP2A6 (0.35) | CYP3A4L3MBTL1TDP1SKP2MAPT | |
| SCHEMBL10310085 | 0.77 | NOS3 (0.38) | L3MBTL1KDM4EESR1 | |
| SCHEMBL11151694 | 0.76 | PTGS2 (0.39) | PTGS2CYP3A4L3MBTL1TDP1MAPT | |
| SCHEMBL14383876 | 0.76 | KDM4E (0.35) | TDP1MAPTKDM4EALDH1A1MEN1 | |
| SCHEMBL10401174 | 0.76 | SKP2 (0.49) | CYP3A4L3MBTL1TDP1SKP2MAPT | |
| SCHEMBL20503226 | 0.75 | RARB (0.52) | CYP3A4L3MBTL1TDP1MAPTNFKB1 | |
| SCHEMBL22332521 | 0.75 | RAB9A (0.43) | CYP3A4L3MBTL1TDP1SKP2MAPT | |
| SCHEMBL12186163 | 0.74 | RARB (0.50) | PTGS2CYP3A4L3MBTL1TDP1MAPT | |
| SCHEMBL12186156 | 0.74 | RARB (0.50) | PTGS2CYP3A4L3MBTL1TDP1MAPT | |
| SCHEMBL27733869 | 0.73 | TDP1 (0.59) | PTGS2CYP3A4L3MBTL1TDP1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2138489-B9 | NOVEL PYRIMIDINE COMPOUND HAVING BENZYL(HETEROCYCLICMETHYL)AMINE STRUCTURE AND PHARMACEUTICAL PRODUCT CONTAINING THE SAME | KOWA CO (JP) | 2012-10-24 | — | — | EP | disclosed |
| EP-2138489-B1 | NOVEL PYRIMIDINE COMPOUND HAVING BENZYL(HETEROCYCLICMETHYL)AMINE STRUCTURE AND PHARMACEUTICAL PRODUCT CONTAINING THE SAME | KOWA CO (JP) | 2012-07-11 | — | — | EP | disclosed |