Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
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 | 0.86 | ATM (0.43) | CTSLCTSBCTSSCTSK | |
| SCHEMBL6611623 | 0.84 | TSHR (0.40) | ALDH1A1MEN1KMT2AMAPTCTSS | |
| SCHEMBL6776222 | 0.83 | ALDH1A1 (0.41) | ALDH1A1KMT2ASMN1; SMN2MAPTLMNA | |
| SCHEMBL6612146 | 0.82 | PKM (0.43) | MEN1KMT2APOLBSMN1; SMN2MAPT | |
| SCHEMBL6777805 | 0.81 | ALDH1A1 (0.39) | ALDH1A1MEN1KMT2AL3MBTL1CTSL | |
| SCHEMBL6610307 | 0.81 | ALDH1A1 (0.38) | ALDH1A1MEN1KMT2ASMN1; SMN2MAPT | |
| SCHEMBL6770908 | 0.79 | CASP1 (0.36) | ALDH1A1L3MBTL1SMN1; SMN2PDK2PDK4 | |
| SCHEMBL6609361 | 0.78 | L3MBTL1 (0.39) | ALDH1A1MEN1KMT2APOLBL3MBTL1 | |
| SCHEMBL6608974 | 0.78 | CASP3 (0.47) | — | |
| SCHEMBL6770958 | 0.77 | MMP1 (0.37) | MAPT |
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 |