Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.64 |
| ▸ | TYMS | P04818 | 15/20 | 0.58 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.52 |
| ▸ | RAF1 | P04049 | 1/20 | 0.52 |
| ▸ | BRAF | P15056 | 1/20 | 0.52 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.52 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.52 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.52 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.52 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.52 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL15840744 | 0.82 | PARP1 (0.66) | PARP1TYMSBMPR1BRAF1BRAF | |
| SCHEMBL19992076 | 0.82 | PARP1 (0.66) | PARP1TYMSBMPR1BRAF1BRAF | |
| SCHEMBL16306348 | 0.82 | PARP1 (0.61) | PARP1TYMSTNKS2 | |
| SCHEMBL7826334 | 0.82 | PARP1 (0.60) | PARP1TYMSTNKS2 | |
| SCHEMBL9259148 | 0.78 | PARP1 (1.00) | PARP1TYMSBMPR1BRAF1BRAF | |
| SCHEMBL30838794 | 0.78 | PARP1 (1.00) | PARP1TYMSBMPR1BRAF1BRAF | |
| SCHEMBL19992101 | 0.75 | PARP1 (0.66) | PARP1TYMSBMPR1BRAF1BRAF | |
| SCHEMBL15840736 | 0.75 | PARP1 (0.66) | PARP1TYMSBMPR1BRAF1BRAF | |
| SCHEMBL6653100 | 0.74 | TYMS (1.00) | PARP1TYMSBMPR1BRAF1BRAF | |
| SCHEMBL7826662 | 0.73 | TYMS (1.00) | TYMS |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0284338-B1 | Anti-tumour agents | ICI PLC (GB) | 1993-12-22 | — | — | EP | disclosed |
| US-4981856-A | QUINAZOLINE | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-01-01 | — | — | US | disclosed |
| EP-0284338-A2 | Anti-tumour agents | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-09-28 | — | — | EP | disclosed |