Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.54 |
| ▸ | PKM | P14618 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | SRR | Q9GZT4 | 2/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | ALPI | P09923 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | XIAP | P98170 | 1/20 | 0.39 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.36 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.36 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | ALPL | P05186 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3651052 | 0.76 | CYP1A2 (0.47) | CYP1A2PKMSMN1; SMN2CYP2D6NPSR1 | |
| SCHEMBL534423 | 0.74 | CYP1A2 (0.44) | CYP1A2PKMSMN1; SMN2CYP2D6NPSR1 | |
| Solriamfetol SCHEMBL2739637 | 0.73 | PKM (0.56) | CYP1A2PKMSMN1; SMN2CYP2D6NPSR1 | |
| Solriamfetol SCHEMBL30929349 | 0.73 | PKM (0.56) | CYP1A2PKMSMN1; SMN2CYP2D6NPSR1 | |
| Solriamfetol SCHEMBL42526 | 0.73 | PKM (0.56) | CYP1A2PKMSMN1; SMN2CYP2D6NPSR1 | |
| SCHEMBL16476537 | 0.73 | CYP1A2 (0.56) | CYP1A2PKMSMN1; SMN2CYP2D6NPSR1 | |
| SCHEMBL375857 | 0.73 | CYP1A2 (0.56) | CYP1A2PKMSMN1; SMN2CYP2D6NPSR1 | |
| Solriamfetol SCHEMBL42525 | 0.73 | PKM (0.56) | CYP1A2PKMSMN1; SMN2CYP2D6NPSR1 | |
| Solriamfetol SCHEMBL30929348 | 0.73 | PKM (0.56) | CYP1A2PKMSMN1; SMN2CYP2D6NPSR1 | |
| SCHEMBL11072796 | 0.73 | HTT (0.42) | CYP1A2PKMSMN1; SMN2CYP2D6NPSR1 |
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-2011057382-A1 | SPIROCYCLIC PIPERIDINE DERIVATIVES USEFUL AS RENIN INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2011-05-19 | — | — | WO | disclosed |