Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 5/20 | 0.40 |
| ▸ | FGFR1 | P11362 | 5/20 | 0.40 |
| ▸ | KDR | P35968 | 4/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17681593 | 0.83 | ALDH1A1 (0.56) | ALDH1A1RECQLCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9973781 | 0.83 | ALDH1A1 (0.56) | ALDH1A1RECQLCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL17681780 | 0.82 | CYP1A2 (0.70) | ALDH1A1RECQLCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1527189 | 0.82 | ALDH1A1 (0.55) | ALDH1A1RECQLCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL19459414 | 0.81 | MAPT (0.54) | ALDH1A1RECQLCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL19459433 | 0.79 | ALDH1A1 (0.58) | ALDH1A1RECQLCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL24254558 | 0.78 | ALDH1A1 (0.51) | ALDH1A1RECQLCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL5962103 | 0.78 | POLB (0.56) | ALDH1A1RECQLEPHX2L3MBTL1POLB | |
| SCHEMBL24254516 | 0.77 | KMT2A (0.51) | ALDH1A1RECQLCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7685156 | 0.77 | HTT (0.55) | ALDH1A1RECQLPOLBMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2203442-B1 | SUBSTITUTED PYRROLO-PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS | NERVIANO MEDICAL SCIENCES SRL (IT) | 2012-06-20 | — | — | EP | disclosed |