Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 9/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.40 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9508824 | 0.97 | ACACB (0.46) | ACACBHRH3HPGDMEN1USP2 | |
| SCHEMBL9508808 | 0.92 | ACACB (0.52) | ACACBHRH3LMNA | |
| SCHEMBL9511396 | 0.92 | ITGB3 (0.47) | ACACBS1PR5MEN1USP2ALDH1A1 | |
| SCHEMBL9509403 | 0.92 | ACACB (0.46) | ACACBS1PR5HPGDMEN1USP2 | |
| SCHEMBL9510212 | 0.91 | ACACB (0.46) | ACACBS1PR5HPGDMEN1USP2 | |
| SCHEMBL9511288 | 0.91 | ACACB (0.47) | ACACBHRH3MEN1USP2ALDH1A1 | |
| SCHEMBL10511210 | 0.90 | ACACB (0.43) | ACACBHRH3LMNAKMT2ASMN1; SMN2 | |
| SCHEMBL9508786 | 0.90 | ACACB (0.48) | ACACBMEN1USP2ALDH1A1LMNA | |
| SCHEMBL9510199 | 0.89 | ACACB (0.51) | ACACBMEN1USP2ALDH1A1LMNA | |
| SCHEMBL9344693 | 0.88 | ITGB3 (0.45) | HRH3S1PR5HPGDMEN1USP2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0308438-B1 | LIQUID CRYSTAL PHASE CONTAINING TOLANES | MERCK PATENT GmbH (DE) | 1993-09-29 | — | — | EP | disclosed |