Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNKS | O95271 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.39 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.39 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.39 |
| ▸ | FNTA | P49354 | 1/20 | 0.37 |
| ▸ | FNTB | P49356 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4039942 | 0.89 | PARP1 (0.38) | TNKSPARP1PARP2PARP4PARP3 | |
| SCHEMBL4044638 | 0.85 | PAX8 (0.37) | TNKSPARP1PARP2PARP4PARP3 | |
| SCHEMBL4040851 | 0.85 | PAX8 (0.37) | TNKSPARP1PARP2PARP4PARP3 | |
| SCHEMBL4040341 | 0.85 | PAX8 (0.42) | TNKSPARP1PARP2PARP4PARP3 | |
| SCHEMBL4039947 | 0.81 | TNKS (0.38) | TNKSPARP1PARP2PARP4PARP3 | |
| SCHEMBL4043899 | 0.81 | PAX8 (0.36) | TNKSPARP1PARP2PARP4PARP3 | |
| SCHEMBL4044386 | 0.80 | MAPK8 (0.42) | TNKSPARP1PARP2PARP4PARP3 | |
| SCHEMBL6210597 | 0.79 | PARP1 (0.40) | TNKSPARP1PARP2PARP4PARP3 | |
| SCHEMBL4047662 | 0.79 | CTSK (0.41) | TNKSPARP1PARP2PARP4PARP3 | |
| SCHEMBL6210592 | 0.78 | PAX8 (0.40) | TNKSPARP1PARP2PARP4PARP3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1546150-B1 | PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES | AMURA THERAPEUTICS LTD (GB) | 2009-03-04 | — | — | EP | disclosed |