Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC7 | O00311 | 2/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.32 |
| ▸ | CDK2 | P24941 | 2/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.32 |
| ▸ | DBF4 | Q9UBU7 | 2/20 | 0.32 |
| ▸ | PARP1 | P09874 | 7/20 | 0.32 |
| ▸ | PARP2 | Q9UGN5 | 4/20 | 0.32 |
| ▸ | TNKS | O95271 | 1/20 | 0.32 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.32 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.32 |
| ▸ | PARP12 | Q9H0J9 | 1/20 | 0.32 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.32 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.32 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8564031 | 1.00 | CDC7 (0.32) | CDC7CCNE1CDK2ROCK1DBF4 | |
| SCHEMBL8570853 | 0.85 | PARP1 (0.34) | PARP1PARP2TNKSPARP14PARP10 | |
| SCHEMBL8565685 | 0.85 | PARP1 (0.34) | PARP1PARP2TNKSPARP14PARP10 | |
| SCHEMBL8569094 | 0.78 | NPC1 (0.37) | PARP1PARP2TNKSPARP14PARP10 | |
| SCHEMBL8567488 | 0.78 | CHRNB2 (0.45) | PARP1PARP2TNKSPARP14PARP10 | |
| SCHEMBL8128487 | 0.77 | PARP1 (0.34) | PARP1PARP2 | |
| SCHEMBL8566838 | 0.75 | PARP1 (0.33) | PARP1 | |
| SCHEMBL8130242 | 0.75 | PARP1 (0.33) | PARP1 | |
| SCHEMBL8121929 | 0.73 | PARP1 (0.35) | CDC7CCNE1CDK2ROCK1DBF4 | |
| SCHEMBL8120739 | 0.72 | PARP1 (0.39) | PARP1PARP2TNKSPARP14PARP10 |
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-0842178-A1 | FUROPYRIDINE, THIENOPYRIDINE, PYRROLOPYRIDINE AND RELATED PYRIMIDINE, PYRIDAZINE AND TRIAZINE COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | Abbott Laboratories (US) | 1998-05-20 | — | — | EP | claimed |
| WO-1997005139-A1 | FUROPYRIDINE, THIENOPYRIDINE, PYRROLOPYRIDINE AND RELATED PYRIMIDINE, PYRIDAZINE AND TRIAZINE COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LABORATORIES (US) | 1997-02-13 | — | — | WO | claimed |