Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 5/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | CTSK | P43235 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 4/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6611050 | 0.94 | LMNA (0.43) | ABCB1LMNAHSD17B10CTSKALDH1A1 | |
| SCHEMBL6613192 | 0.93 | LMNA (0.43) | ABCB1LMNAHSD17B10CTSKALDH1A1 | |
| SCHEMBL6611095 | 0.92 | ABCB1 (0.42) | ABCB1LMNAHSD17B10CTSKALDH1A1 | |
| SCHEMBL6613352 | 0.88 | ABCB1 (0.39) | ABCB1LMNAHSD17B10CTSKALDH1A1 | |
| SCHEMBL6611623 | 0.85 | TSHR (0.40) | ABCB1LMNAHSD17B10CTSKALDH1A1 | |
| SCHEMBL6611667 | 0.83 | ABCB1 (0.38) | ABCB1LMNAHSD17B10ALDH1A1TP53 | |
| SCHEMBL6610680 | 0.80 | LMNA (0.38) | ABCB1LMNAHSD17B10CTSKALDH1A1 | |
| SCHEMBL6770300 | 0.79 | ABCB1 (0.32) | ABCB1 | |
| SCHEMBL25061437 | 0.79 | ATM (0.35) | LMNAPOLBMAPK1 | |
| SCHEMBL25396855 | 0.77 | KDM4E (0.35) | LMNAHSD17B10ALDH1A1TSHRL3MBTL1 |
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 |