Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | CACNA2D1 | P54289 | 8/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL21118900 | 0.84 | SLC6A4 (0.45) | ALDH1A1HPGDSLC6A4KDM4ECNR1 | |
| SCHEMBL21118566 | 0.82 | SLC6A2 (0.56) | ALDH1A1HPGDSLC6A4GAASLC6A2 | |
| SCHEMBL21118580 | 0.80 | SLC6A4 (0.48) | SLC6A4CACNA2D1SLC6A2LMNAMEN1 | |
| SCHEMBL15676798 | 0.72 | ALDH1A1 (0.76) | ALDH1A1HPGDGAAKDM4EPKM | |
| SCHEMBL31474401 | 0.72 | ALDH1A1 (0.76) | ALDH1A1HPGDGAAKDM4EPKM | |
| SCHEMBL20917044 | 0.70 | CACNA2D1 (0.51) | CACNA2D1SLC6A2KMT2ASMN1; SMN2 | |
| SCHEMBL21118704 | 0.70 | SLC6A3 (0.56) | SLC6A4CACNA2D1GAASLC6A2KMT2A | |
| SCHEMBL21118544 | 0.70 | SLC6A2 (0.52) | ALDH1A1SLC6A4SLC6A2LMNAMEN1 | |
| SCHEMBL20917066 | 0.68 | CACNA2D1 (0.51) | SLC6A4CACNA2D1SLC6A2 | |
| SCHEMBL27841706 | 0.68 | ALDH1A1 (0.73) | ALDH1A1HPGDGAAKDM4EPKM |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019110137-A1 | O-PHENOXY AND O-BENZYLOXYPROPYLAMINO DERIVATIVES HAVING ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2019-06-13 | — | — | WO | disclosed |