Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.48 |
| ▸ | ITK | Q08881 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 10/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 9/20 | 0.39 |
| ▸ | USP2 | O75604 | 6/20 | 0.39 |
| ▸ | MEN1 | O00255 | 6/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3368865 | 0.83 | CLK4 (0.52) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL3370929 | 0.77 | MEN1 (0.43) | MEN1KMT2AMAPTKDM4ENPC1 | |
| SCHEMBL6883124 | 0.75 | ABCG2 (0.48) | ABCG2ITKCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2422608 | 0.74 | ABCG2 (0.72) | ABCG2ITKCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8346049 | 0.70 | ABCG2 (0.67) | ABCG2ITKCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5261585 | 0.69 | CYP1A2 (0.62) | ABCG2ITKCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11481156 | 0.68 | ADRA2A (0.57) | ABCG2ITKCYP2D6CYP2C19MEN1 | |
| Hydrochloric Acid SCHEMBL5914224 | 0.67 | CYP1A2 (0.60) | ABCG2ITKCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL16926442 | 0.67 | ITK (0.57) | ABCG2ITKCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL21016714 | 0.66 | ITK (0.52) | ABCG2ITKCYP1A2CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003068757-A9 | NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2004-10-07 | — | — | WO | disclosed |