Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | STAT3 | P40763 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1006509 | 0.85 | ALDH1A1 (0.45) | CYP2D6CYP3A4ALDH1A1CYP2C19TSHR | |
| SCHEMBL23151947 | 0.84 | CYP2D6 (0.40) | CYP2D6CYP1A2CYP3A4ALDH1A1CYP2C19 | |
| SCHEMBL7166740 | 0.83 | CYP2D6 (0.45) | CYP2D6CYP1A2CYP3A4ALDH1A1CYP2C19 | |
| SCHEMBL7032005 | 0.83 | CYP2D6 (0.45) | CYP2D6CYP1A2CYP3A4ALDH1A1CYP2C19 | |
| SCHEMBL26655196 | 0.83 | CYP2D6 (0.45) | CYP2D6CYP1A2CYP3A4ALDH1A1CYP2C19 | |
| SCHEMBL26655167 | 0.83 | CYP2D6 (0.45) | CYP2D6CYP1A2CYP3A4ALDH1A1CYP2C19 | |
| SCHEMBL962353 | 0.83 | CYP2D6 (0.39) | CYP2D6CYP1A2CYP3A4ALDH1A1CYP2C19 | |
| SCHEMBL8075217 | 0.83 | ALDH1A1 (0.39) | CYP2D6CYP1A2CYP3A4ALDH1A1CYP2C19 | |
| SCHEMBL16302174 | 0.82 | HTT (0.40) | CYP2D6CYP1A2CYP3A4ALDH1A1CYP2C19 | |
| SCHEMBL25308618 | 0.82 | CYP2D6 (0.40) | CYP2D6CYP1A2CYP3A4ALDH1A1CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2185537-A1 | PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | Pfizer Inc. (US) | 2010-05-19 | — | — | EP | disclosed |
| WO-2009016498-A1 | PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | PFIZER INC. (US) | 2009-02-05 | — | — | WO | disclosed |
| WO-2009016498-A1 | PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | PFIZER INC. (US) | 2009-02-05 | — | — | WO | disclosed |