Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.54 |
| ▸ | CES1 | P23141 | 1/20 | 0.54 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.52 |
| ▸ | CHRNG | P07510 | 1/20 | 0.52 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.52 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.52 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.52 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | CHRND | Q07001 | 1/20 | 0.52 |
| ▸ | PARP1 | P09874 | 1/20 | 0.51 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.47 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.47 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.47 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.47 |
| ▸ | WNT3A | P56704 | 1/20 | 0.47 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.47 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL670521 | 1.00 | CES2 (0.54) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL670522 | 1.00 | CES2 (0.54) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL12393864 | 1.00 | CES2 (0.54) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL30181112 | 1.00 | CES2 (0.54) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| Hydrochloric Acid SCHEMBL671151 | 0.99 | CES2 (0.53) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL670343 | 0.89 | NPC1 (0.44) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL2411119 | 0.87 | TP53 (0.49) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL670344 | 0.87 | TP53 (0.49) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL30515227 | 0.87 | TP53 (0.49) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL10855246 | 0.84 | KDM4E (0.54) | MEN1KMT2ACYP2D6HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-4116288-A1 | RACEMIZATION OF (S) AND/OR (R)-3-(DIMETHYLAMINO)-1-(3-METHOXYPHENYL)-2-METHYLPROPAN-1- ONE AND ITS MIXTURES | KRKA, d.d., Novo mesto (SI) | 2023-01-11 | — | — | EP | disclosed |
| WO-2015075678-A1 | A NOVEL PROCESS FOR THE PREPARATION OF 1-PHENYL-3-AMINOPROPANE DERIVATIVES | UNIMARK REMEDIES LTD. (IN) | 2015-05-28 | — | — | WO | disclosed |