Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F10 | P00742 | 1/20 | 0.34 |
| ▸ | ELANE | P08246 | 2/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | TACR3 | P29371 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.33 |
| ▸ | KLK7 | P49862 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | CCR3 | P51677 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | TGM2 | P21980 | 2/20 | 0.32 |
| ▸ | CTSV | O60911 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL6612006 | 0.90 | CASP3 (0.41) | — | |
| SCHEMBL6772049 | 0.88 | CASP1 (0.36) | F10CASP1KLK5 | |
| SCHEMBL6772066 | 0.86 | KLK5 (0.40) | CASP1ALDH1A1KLK5KLK7LMNA | |
| SCHEMBL6611175 | 0.85 | PARP1 (0.35) | ALDH1A1L3MBTL1KLK5KLK7CTSL | |
| SCHEMBL6613465 | 0.83 | NOS2 (0.39) | CASP1ALDH1A1 | |
| SCHEMBL6769803 | 0.83 | TMPRSS11D (0.37) | ALDH1A1HPGDKLK5KLK7PKM | |
| SCHEMBL6613270 | 0.83 | CASP1 (0.36) | CASP1BACE1ALDH1A1CCR3CTSV | |
| SCHEMBL6608614 | 0.82 | PIN1 (0.37) | CASP1 | |
| SCHEMBL6625593 | 0.82 | CASP1 (0.41) | CASP1ALDH1A1HPGDKDM4E | |
| SCHEMBL6627049 | 0.81 | USP2 (0.40) | CASP1KLK5KLK7 |
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 |
|---|---|---|---|---|---|---|---|
| US-6747050-B1 | INHIBITING THE ACTIVITY OF CASPASES, PREVENTING INFLAMMATION AND APOPTOSIS | LG CHEM INVESTMENT LTD. (KR) | 2004-06-08 | — | — | US | disclosed |
| WO-2001021599-A1 | CASPASE INHIBITOR | LG CHEMICAL LTD. (KR) | 2001-03-29 | — | — | WO | disclosed |