Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CRY1 | Q16526 | 2/20 | 0.35 |
| ▸ | CRY2 | Q49AN0 | 2/20 | 0.35 |
| ▸ | PER2 | O15055 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 3/20 | 0.35 |
| ▸ | CTSS | P25774 | 3/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | IL1B | P01584 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 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 | |
|---|---|---|---|---|
| SCHEMBL4448207 | 0.82 | ALDH1A1 (0.46) | ALDH1A1HPGDSMN1; SMN2CTSSUSP2 | |
| SCHEMBL5870316 | 0.82 | ALDH1A1 (0.46) | ALDH1A1HPGDSMN1; SMN2CTSSUSP2 | |
| SCHEMBL5870320 | 0.82 | ALDH1A1 (0.46) | ALDH1A1HPGDSMN1; SMN2CTSSUSP2 | |
| SCHEMBL7014082 | 0.81 | CTSL (0.35) | CTSLCTSSIL1BP2RX7 | |
| SCHEMBL28745325 | 0.74 | CTSL (0.35) | ALDH1A1HPGDSMN1; SMN2PER2CTSL | |
| SCHEMBL5870104 | 0.69 | HPGD (0.38) | ALDH1A1HPGDSMN1; SMN2CTSLCTSS | |
| SCHEMBL6803715 | 0.69 | CTSS (0.56) | ALDH1A1HPGDSMN1; SMN2CRY1CRY2 | |
| SCHEMBL5870360 | 0.69 | ALDH1A1 (0.40) | ALDH1A1HPGDSMN1; SMN2CTSLCTSS | |
| SCHEMBL13677357 | 0.69 | CTSS (0.51) | ALDH1A1HPGDSMN1; SMN2CTSLCTSS | |
| SCHEMBL13677390 | 0.69 | CTSS (0.51) | ALDH1A1HPGDSMN1; SMN2CTSLCTSS |
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-1362052-A1 | INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES | Amura Therapeutics Limited (GB) | 2003-11-19 | — | — | EP | disclosed |
| WO-2002057270-A1 | INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES | AMURA THERAPEUTICS LIMITED (GB) | 2002-07-25 | — | — | WO | disclosed |