Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8012190 | 1.00 | CES1 (0.55) | CES1MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL25681839 | 0.90 | CES1 (0.63) | CES1MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL6325992 | 0.90 | CES1 (0.63) | CES1MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL6325997 | 0.90 | CES1 (0.63) | CES1MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL8016555 | 0.86 | CES1 (0.52) | CES1MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL8016552 | 0.86 | CES1 (0.52) | CES1MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL4301063 | 0.85 | NR1H2 (0.41) | CES1MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL4301061 | 0.85 | NR1H2 (0.41) | CES1MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL8012591 | 0.81 | HDAC1 (0.52) | CES1MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL8012593 | 0.81 | HDAC1 (0.52) | CES1MAPTMEN1KMT2AALDH1A1 |
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-6043254-A | ANTIPROLIFERATIVE AGENT; ENZYME INHIBITOR | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-03-28 | — | — | US | disclosed |