Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1G | O43497 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 2/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.51 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | TACR3 | P29371 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7305322 | 0.94 | CACNA1G (0.51) | CACNA1GACHECHRM2CHRM3KDM4E | |
| SCHEMBL7752955 | 0.89 | ALDH1A1 (0.46) | CACNA1GACHECHRM2CHRM3KDM4E | |
| SCHEMBL4630038 | 0.83 | OPRM1 (0.61) | ACHECHRM2CHRM3TSHROPRL1 | |
| SCHEMBL4352116 | 0.81 | OPRL1 (0.63) | OPRL1 | |
| SCHEMBL27575883 | 0.81 | OPRL1 (0.54) | CHRM2CHRM3TSHROPRL1POLB | |
| SCHEMBL7314223 | 0.78 | OPRL1 (0.48) | OPRL1 | |
| SCHEMBL6544501 | 0.78 | OPRL1 (0.53) | CHRM2CHRM3TSHROPRL1POLB | |
| SCHEMBL2834966 | 0.77 | OPRL1 (0.61) | TSHROPRL1POLBCYP2D6MEN1 | |
| SCHEMBL3412279 | 0.75 | CYP3A4 (0.55) | ACHECHRM2KDM4ETSHROPRL1 | |
| SCHEMBL7307127 | 0.74 | TSHR (0.53) | CACNA1GACHETSHROPRL1POLB |
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-0673928-A1 | Novel N-(3,4-dichlorophenyl-propyl)-piperidine derivatives as selective human NK3-receptor antagonists | SANOFI (FR) | 1995-09-27 | — | — | EP | disclosed |