Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN1A | P35498 | 7/20 | 0.70 |
| ▸ | SCN2A | Q99250 | 7/20 | 0.70 |
| ▸ | SCN3A | Q9NY46 | 7/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.70 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.55 |
| ▸ | MAOA | P21397 | 3/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.55 |
| ▸ | HTR3A | P46098 | 2/20 | 0.55 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.55 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.55 |
| ▸ | HTR2C | P28335 | 1/20 | 0.55 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.55 |
| ▸ | MAOB | P27338 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL571739 | 0.83 | HTT (0.57) | SCN1ASCN2ASCN3ACYP2D6CYP1A2 | |
| SCHEMBL7232311 | 0.83 | L3MBTL1 (0.49) | SCN1ASCN2ASCN3ACYP2D6CYP1A2 | |
| Propoxycaine SCHEMBL29353209 | 0.82 | SCN1A (1.00) | SCN1ASCN2ASCN3ACYP2D6CYP1A2 | |
| Ambucaine SCHEMBL82280 | 0.82 | SCN1A (0.91) | SCN1ASCN2ASCN3ACYP2D6CYP1A2 | |
| Propoxycaine SCHEMBL83073 | 0.82 | SCN1A (1.00) | SCN1ASCN2ASCN3ACYP2D6CYP1A2 | |
| SCHEMBL1734232 | 0.82 | CYP2D6 (0.73) | SCN1ASCN2ASCN3ACYP2D6CYP1A2 | |
| Propoxycaine SCHEMBL24720 | 0.81 | SCN1A (0.98) | SCN1ASCN2ASCN3ACYP2D6CYP1A2 | |
| Ambucaine SCHEMBL1007224 | 0.81 | CYP2D6 (0.88) | SCN1ASCN2ASCN3ACYP2D6CYP1A2 | |
| SCHEMBL19678724 | 0.81 | TDP1 (0.49) | SCN1ASCN2ASCN3ACYP2D6CYP1A2 | |
| Propoxycaine SCHEMBL1651061 | 0.81 | SCN1A (0.95) | SCN1ASCN2ASCN3ACYP2D6CYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6599908-B1 | Potent and selective inhibitors of the protein tyrosine kinases p56lck and p59fyn | CELLTECH R & D LIMITED (GB) | 2003-07-29 | — | — | US | disclosed |
| US-6057329-A | Fused polycyclic 2-aminopyrimidine derivatives | CELLTECH THERAPEUTICS LIMITED (GB) | 2000-05-02 | — | — | US | disclosed |
| EP-0946523-A1 | FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEIN TYROSINE KINASE INHIBITORS | CELLTECH THERAPEUTICS LIMITED (GB) | 1999-10-06 | — | — | EP | disclosed |
| WO-1998028281-A1 | FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEIN TYROSINE KINASE INHIBITORS | CELLTECH THERAPEUTICS LIMITED (GB) | 1998-07-02 | — | — | WO | disclosed |