Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | GSK3B | P49841 | 2/20 | 0.47 |
| ▸ | KIF11 | P52732 | 2/20 | 0.45 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.42 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.40 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.40 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.40 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 1/20 | 0.39 |
| ▸ | NR4A1 | P22736 | 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 | |
|---|---|---|---|---|
| SCHEMBL23621087 | 0.81 | CES2 (0.48) | CES2MEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL2979315 | 0.77 | CES2 (0.42) | CES2CES1MEN1KMT2AALDH1A1 | |
| SCHEMBL11203708 | 0.77 | CES2 (0.59) | CES2CES1GSK3BKIF11SRD5A2 | |
| SCHEMBL19114771 | 0.77 | CES2 (0.48) | CES2CES1GSK3BKIF11SRD5A2 | |
| SCHEMBL28243558 | 0.77 | CES2 (0.58) | CES2CES1GSK3BKIF11SRD5A2 | |
| SCHEMBL23389922 | 0.76 | MAPT (0.49) | MEN1KMT2AALDH1A1ALOX15HSD17B10 | |
| SCHEMBL8377031 | 0.75 | CES2 (0.47) | CES2CES1GSK3BKIF11SRD5A2 | |
| SCHEMBL4454491 | 0.75 | MAPT (0.52) | MEN1KMT2AALDH1A1KDM4EALOX15 | |
| SCHEMBL28402017 | 0.75 | CES2 (0.56) | CES2CES1GSK3BKIF11SRD5A2 | |
| SCHEMBL29056485 | 0.74 | CES2 (0.50) | CES2CES1GSK3BKIF11SRD5A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117003669-A | Preparation method of unsaturated nitrile, N-15 marked unsaturated nitrile and N-15 marked rilpivirine | 北京化工大学 | 2023-11-07 | — | — | CN | disclosed |
| US-4533655-A | Analgesic dipeptide amides and method of use and compositions thereof | STERLING DRUG INC. (US) | 1985-08-06 | — | — | US | disclosed |