Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.46 |
| ▸ | PARP1 | P09874 | 4/20 | 0.44 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.44 |
| ▸ | TYMS | P04818 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CDK4 | P11802 | 2/20 | 0.41 |
| ▸ | CCND1 | P24385 | 2/20 | 0.41 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.40 |
| ▸ | TNF | P01375 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.40 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8801360 | 0.77 | EGFR (0.57) | EGFRPARP1KMT2AALDH1A1HPGD | |
| SCHEMBL6780074 | 0.75 | CDK4 (0.57) | PARP1CDK4CCND1 | |
| SCHEMBL8801578 | 0.73 | HKDC1 (0.51) | EGFRHCAR1ALDH1A1 | |
| SCHEMBL4562079 | 0.73 | CA12 (0.49) | ADORA3PARP1TNKS2TYMSKMT2A | |
| SCHEMBL6214653 | 0.73 | CDK4 (0.42) | PARP1TYMSCDK4CCND1 | |
| SCHEMBL13242246 | 0.71 | HKDC1 (0.52) | EGFRKMT2AALDH1A1HPGDHTT | |
| SCHEMBL6215862 | 0.70 | CDK4 (0.44) | PARP1TYMSCDK4CCND1 | |
| SCHEMBL6219382 | 0.70 | CDK4 (0.40) | TYMSCDK4CCND1 | |
| SCHEMBL6217206 | 0.69 | CDK4 (0.49) | PARP1TYMSCDK4CCND1 | |
| SCHEMBL6216752 | 0.69 | CDK4 (0.49) | TYMSCDK4CCND1 |
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-0482804-B1 | Pyrrolo[2,3-d]pyrimidines with cardiovascular activity, process for their preparation and pharmaceutical compositions containing them | ZENECA LTD (GB) | 1997-01-22 | — | — | EP | disclosed |
| US-5328910-A | Bradycardial agents | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1994-07-12 | — | — | US | disclosed |
| EP-0482804-A1 | Pyrrolo[2,3-d]pyrimidines with cardiovascular activity, process for their preparation and pharmaceutical compositions containing them | ZENECA LIMITED (GB) | 1992-04-29 | — | — | EP | disclosed |