Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | SCN4A | P35499 | 2/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | CASR | P41180 | 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 | |
|---|---|---|---|---|
| SCHEMBL27885872 | 1.00 | LMNA (0.44) | LMNACYP2D6MTNR1AMTNR1BADRB2 | |
| SCHEMBL27869528 | 0.82 | TSHR (0.40) | CYP2D6 | |
| SCHEMBL27869529 | 0.82 | TSHR (0.40) | CYP2D6 | |
| SCHEMBL3909668 | 0.81 | LMNA (0.49) | LMNACYP2D6MTNR1AMTNR1BADRB2 | |
| SCHEMBL6610329 | 0.80 | CYP2D6 (0.50) | LMNACYP2D6ADRB2ADRB1ADRB3 | |
| SCHEMBL77864 | 0.80 | CTSK (0.37) | CYP2D6MTNR1AMTNR1B | |
| SCHEMBL13357117 | 0.79 | LMNA (0.44) | LMNACYP2D6MTNR1AMTNR1BADRB2 | |
| SCHEMBL79263 | 0.78 | MAPT (0.35) | CYP2D6MTNR1AMTNR1B | |
| SCHEMBL487416 | 0.78 | MAPT (0.35) | CYP2D6MTNR1AMTNR1B | |
| SCHEMBL473148 | 0.78 | MAPT (0.35) | CYP2D6MTNR1AMTNR1B |
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 6 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 |
| EP-1212309-A4 | CASPASE INHIBITOR | LG CHEM INVESTMENT LTD (KR) | 2002-11-27 | — | — | EP | disclosed |
| EP-1212309-A1 | CASPASE INHIBITOR | LG Chem Investment, Ltd. (KR) | 2002-06-12 | — | — | EP | disclosed |
| WO-2001021600-A1 | CASPASE INHIBITOR | LG CHEM INVESTMENT LTD. (KR) | 2001-03-29 | — | — | WO | disclosed |
| WO-2001021599-A1 | CASPASE INHIBITOR | LG CHEMICAL LTD. (KR) | 2001-03-29 | — | — | WO | disclosed |