Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | CASP6 | P55212 | 1/20 | 0.38 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6955052 | 1.00 | ALDH1A1 (0.51) | ALDH1A1TSHRL3MBTL1THRBATM | |
| SCHEMBL6957348 | 0.86 | ALDH1A1 (0.50) | ALDH1A1TSHRL3MBTL1THRBATM | |
| SCHEMBL6632647 | 0.82 | CTSS (0.45) | ALDH1A1TSHRL3MBTL1THRBATM | |
| SCHEMBL6957544 | 0.77 | ALDH1A1 (0.40) | ALDH1A1TSHRL3MBTL1THRBATM | |
| SCHEMBL4459425 | 0.75 | CTSS (0.47) | ALDH1A1TSHRRECQL | |
| SCHEMBL12401977 | 0.75 | NPSR1 (0.44) | ALDH1A1TSHRTHRBSMN1; SMN2TP53 | |
| SCHEMBL819467 | 0.75 | NPSR1 (0.44) | ALDH1A1TSHRTHRBSMN1; SMN2TP53 | |
| SCHEMBL820265 | 0.73 | NPSR1 (0.42) | ALDH1A1TSHRTHRBSMN1; SMN2TP53 | |
| SCHEMBL15148102 | 0.72 | TSHR (0.65) | ALDH1A1TSHRL3MBTL1RECQLPOLB | |
| SCHEMBL819688 | 0.71 | ALDH1A1 (0.40) | ALDH1A1TSHRL3MBTL1THRBATM |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1362052-A1 | INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES | Amura Therapeutics Limited (GB) | 2003-11-19 | — | — | EP | disclosed |
| EP-1358174-A2 | INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES | Amura Therapeutics Limited (GB) | 2003-11-05 | — | — | EP | disclosed |
| WO-2002057248-A2 | INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES | AMURA THERAPEUTICS LIMITED (GB) | 2002-07-25 | — | — | WO | disclosed |
| WO-2002057270-A1 | INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES | AMURA THERAPEUTICS LIMITED (GB) | 2002-07-25 | — | — | WO | disclosed |