Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 4/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.34 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.34 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.33 |
| ▸ | RAF1 | P04049 | 3/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | GCG | P01275 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.30 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17653167 | 0.83 | P2RX7 (0.39) | P2RX7AAK1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL17653291 | 0.68 | AAK1 (0.42) | AAK1SMN1; SMN2KDM4ECYP2D6CYP2C19 | |
| SCHEMBL27629973 | 0.65 | P4HTM (0.43) | GRIN2DGRIN2AGRIN2BGRIN2CRAF1 | |
| SCHEMBL17493735 | 0.64 | AAK1 (0.56) | AAK1S1PR1 | |
| SCHEMBL27787814 | 0.63 | CYP1A2 (0.53) | HCAR2KDM4ENPC1RAB9A | |
| SCHEMBL20509436 | 0.60 | HPGD (0.43) | CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL28776260 | 0.60 | GRIN2D (0.39) | ABL1GRIN2DGRIN2AGRIN2BGRIN2C | |
| SCHEMBL27314267 | 0.59 | EGFR (0.51) | — | |
| Acetic Acid SCHEMBL27771808 | 0.59 | CYP1A2 (0.58) | HCAR2SMN1; SMN2KDM4ENPC1RAB9A | |
| SCHEMBL22672456 | 0.59 | TDP1 (0.46) | HCAR2GRIN2DGRIN2AGRIN2BGRIN2C |
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-3200797-A1 | QUINAZOLINE-BASED KINASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-08-09 | — | — | EP | disclosed |
| WO-2016053794-A1 | QUINAZOLINE-BASED KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-04-07 | — | — | WO | disclosed |