Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 2/20 | 0.48 |
| ▸ | BCR | P11274 | 2/20 | 0.48 |
| ▸ | SRC | P12931 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.46 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.46 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | PRKACA | P17612 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7467793 | 0.82 | ABL1 (0.45) | ABL1BCRSRCNPC1GABRA1 | |
| SCHEMBL1231783 | 0.82 | HSP90AA1 (0.64) | ABL1BCRSRCHSP90AA1PRKACA | |
| SCHEMBL8501004 | 0.77 | NPC1 (0.70) | NPC1GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL7462995 | 0.76 | KDM4E (0.57) | NPC1HSP90AA1CYP19A1KMT2ACYP1A2 | |
| SCHEMBL7476570 | 0.76 | KDM4E (0.64) | NPC1CYP19A1KMT2ACYP1A2CYP3A4 | |
| Ammonia Solution, Strong SCHEMBL27968646 | 0.75 | NPC1 (0.68) | NPC1GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL1891143 | 0.75 | MAPT (0.48) | AURKAADORA2AKMT2ACYP1A2CYP3A4 | |
| SCHEMBL18905473 | 0.74 | GABRA1 (0.71) | NPC1GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL2684649 | 0.74 | HSP90AA1 (0.70) | ABL1BCRSRCNPC1HSP90AA1 | |
| SCHEMBL17694969 | 0.74 | NPC1 (0.71) | NPC1GABRA1GABRG2GABRB3GABRA5 |
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-0233461-B2 | 4,5,6-Substituted-2-pyrimidinamines | AMERICAN CYANAMID CO (US) | 2002-05-29 | — | — | EP | disclosed |
| EP-0233461-B1 | 4,5,6-Substituted-2-pyrimidinamines | AMERICAN CYANAMID CO (US) | 1996-03-20 | — | — | EP | disclosed |