Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 2/20 | 0.40 |
| ▸ | TYMS | P04818 | 1/20 | 0.40 |
| ▸ | GHSR | Q92847 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 9/20 | 0.38 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | CHUK | O15111 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4736829 | 0.89 | JAK2 (0.39) | TYMSPTGS2ADORA2AADORA1 | |
| SCHEMBL4741760 | 0.83 | KMT2A (0.45) | TYMSIKBKBCHUKADORA2AADORA1 | |
| SCHEMBL4740440 | 0.83 | TYMS (0.41) | TYMSADORA2AADORA1 | |
| SCHEMBL4741246 | 0.83 | TYMS (0.42) | TYMSADORA2AADORA1 | |
| SCHEMBL4741224 | 0.82 | HRH3 (0.53) | TYMSADORA2AADORA1 | |
| SCHEMBL4741259 | 0.82 | TYMS (0.41) | TYMSADORA2AADORA1 | |
| SCHEMBL4740744 | 0.81 | TYMS (0.40) | TYMSIKBKBCHUKADORA2AADORA1 | |
| SCHEMBL4787518 | 0.80 | CCR2 (0.41) | GHSRPTGS2PTGS1 | |
| SCHEMBL14148428 | 0.77 | TYMS (0.51) | TYMS | |
| SCHEMBL4736837 | 0.77 | TYMS (0.38) | TYMSADORA2AADORA1 |
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-2008086158-A1 | BENZODIHYDROQUINAZOLINE AS PI3 KINASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-07-17 | — | — | WO | disclosed |