Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | EDNRA | P25101 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | GID4 | Q8IVV7 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8501615 | 1.00 | ALDH1A1 (0.46) | ALDH1A1MAPK1MAPTSMN1; SMN2NPC1 | |
| SCHEMBL1683871 | 0.75 | CES2 (0.44) | ALDH1A1MAPK1MAPTSMN1; SMN2NPC1 | |
| SCHEMBL21597980 | 0.75 | EDNRA (0.42) | ALDH1A1SMN1; SMN2RAB9AKDM4EGAA | |
| SCHEMBL25440349 | 0.74 | MAOA (0.38) | ALDH1A1KDM4EMEN1GAAKMT2A | |
| SCHEMBL29086514 | 0.71 | ALDH1A1 (0.72) | ALDH1A1MAPK1MAPTSMN1; SMN2NPC1 | |
| SCHEMBL15717693 | 0.70 | TSHR (0.38) | ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL23131161 | 0.70 | ALDH1A1 (0.52) | ALDH1A1MAPK1MAPTSMN1; SMN2NPC1 | |
| SCHEMBL12881421 | 0.70 | TSHR (0.45) | SMN1; SMN2MEN1KMT2A | |
| SCHEMBL12881466 | 0.70 | TSHR (0.45) | SMN1; SMN2MEN1KMT2A | |
| SCHEMBL15712935 | 0.70 | KDM1A (0.46) | ALDH1A1MAPK1MAPTKDM4EKMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5932749-A | Asymmetric synthesis of R-α-propyl-piperonyl amine and its analogs | DUPONT PHARMACEUTICALS COMPANY (US) | 1999-08-03 | — | — | US | disclosed |
| EP-0888329-A1 | NOVEL ASYMMETRIC SYNTHESIS OF R-$g(a)-PROPYL-PIPERONYL AMINE AND ITS ANALOGS | Du Pont Pharmaceuticals Company (US) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997034887-A1 | NOVEL ASYMMETRIC SYNTHESIS OF R-α-PROPYL-PIPERONYL AMINE AND ITS ANALOGS | DU PONT PHARMACEUTICALS COMPANY (US) | 1997-09-25 | — | — | WO | disclosed |