Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.40 |
| ▸ | KLK7 | P49862 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | CACNA1B | Q00975 | 4/20 | 0.36 |
| ▸ | CASP3 | P42574 | 2/20 | 0.36 |
| ▸ | KYNU | Q16719 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | CASP6 | P55212 | 1/20 | 0.36 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6611175 | 0.89 | PARP1 (0.35) | KLK5KLK7ALDH1A1CTSK | |
| SCHEMBL6613465 | 0.87 | NOS2 (0.39) | CYP3A4ALDH1A1CASP3CASP1CASP7 | |
| SCHEMBL6769803 | 0.86 | TMPRSS11D (0.37) | KLK5KLK7TSHRALDH1A1MEN1 | |
| SCHEMBL6772640 | 0.86 | F10 (0.34) | KLK5KLK7ALDH1A1CACNA1BCASP1 | |
| SCHEMBL6772049 | 0.85 | CASP1 (0.36) | KLK5CASP3CASP1 | |
| SCHEMBL6609159 | 0.85 | KLK7 (0.38) | KLK5KLK7SYKCAPN1ATM | |
| SCHEMBL6627049 | 0.83 | USP2 (0.40) | KLK5KLK7KMT2ACASP1 | |
| SCHEMBL6766378 | 0.83 | SSTR2 (0.36) | KLK7MAPT | |
| SCHEMBL6609293 | 0.83 | CASP1 (0.42) | ATMCASP1 | |
| SCHEMBL6611122 | 0.79 | KLK5 (0.43) | KLK5KLK7CYP3A4TSHRALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6747050-B1 | INHIBITING THE ACTIVITY OF CASPASES, PREVENTING INFLAMMATION AND APOPTOSIS | LG CHEM INVESTMENT LTD. (KR) | 2004-06-08 | — | — | US | disclosed |