Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 2/20 | 0.41 |
| ▸ | PRTN3 | P24158 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CAPN1 | P07384 | 3/20 | 0.41 |
| ▸ | CASP1 | P29466 | 2/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | CASP6 | P55212 | 1/20 | 0.40 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 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 | |
|---|---|---|---|---|
| SCHEMBL6610959 | 0.89 | ATM (0.43) | ELANEPRTN3ATMCAPN1CASP1 | |
| SCHEMBL6611667 | 0.88 | ABCB1 (0.38) | ATMTSHRLMNAALDH1A1MAPK1 | |
| SCHEMBL7995107 | 0.84 | CASP1 (0.44) | ELANEATMCASP1 | |
| SCHEMBL6612520 | 0.83 | CASP1 (0.43) | ELANEPRTN3ATMCAPN1CASP1 | |
| SCHEMBL6608749 | 0.82 | ALDH1A1 (0.43) | CASP1CASP3ALDH1A1 | |
| SCHEMBL6611623 | 0.79 | TSHR (0.40) | ATMTSHRLMNAALDH1A1MEN1 | |
| SCHEMBL6609360 | 0.76 | ALDH1A1 (0.39) | CYP3A4CYP2C9TSHRLMNACYP2C19 | |
| SCHEMBL6610307 | 0.74 | ALDH1A1 (0.38) | TSHRLMNACYP2C19ALDH1A1MEN1 | |
| SCHEMBL6777805 | 0.72 | ALDH1A1 (0.39) | CASP1LMNAALDH1A1MEN1KMT2A | |
| SCHEMBL6770546 | 0.71 | CASP1 (0.44) | CASP1CASP3ALDH1A1CTSK |
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-1212309-B1 | CASPASE INHIBITOR | LG CHEM INVESTMENT LTD (KR) | 2004-08-18 | — | — | EP | disclosed |
| US-6747050-B1 | INHIBITING THE ACTIVITY OF CASPASES, PREVENTING INFLAMMATION AND APOPTOSIS | LG CHEM INVESTMENT LTD. (KR) | 2004-06-08 | — | — | US | disclosed |