Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 4/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.34 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4051337 | 0.93 | CHRNB2 (0.43) | CHRNA7CHRNB2CHRNA4IDO1ALDH1A1 | |
| SCHEMBL4046786 | 0.89 | CHRNB2 (0.36) | CHRNA7CHRNB2CHRNA4ALDH1A1PAX8 | |
| SCHEMBL4043632 | 0.88 | CHRNA7 (0.40) | CHRNA7CHRNB2CHRNA4ALDH1A1USP2 | |
| SCHEMBL4044034 | 0.88 | CHRNB2 (0.41) | CHRNA7CHRNB2CHRNA4IDO1ALDH1A1 | |
| SCHEMBL4042524 | 0.86 | CHRNA7 (0.37) | CHRNA7CHRNB2CHRNA4ALDH1A1USP2 | |
| SCHEMBL4039150 | 0.85 | CHRNA7 (0.36) | CHRNA7CHRNB2CHRNA4ALDH1A1USP2 | |
| SCHEMBL4041663 | 0.84 | CTSK (0.35) | USP2PAX8TSHRCTSK | |
| SCHEMBL4051523 | 0.84 | ALDH1A1 (0.37) | CHRNA7ALDH1A1NPSR1KDM4EHPGD | |
| SCHEMBL4043031 | 0.84 | HTRA1 (0.37) | CHRNA7PAX8CTSK | |
| SCHEMBL4043616 | 0.82 | CTSK (0.35) | ALDH1A1PAX8CTSK |
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 | claimed |