Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.41 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.41 |
| ▸ | PTGER3 | P43115 | 2/20 | 0.41 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD5 | P21918 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28870119 | 0.85 | PTGER1 (0.44) | ALDH1A1PTGER1PTGER4PTGER3PTGER2 | |
| SCHEMBL8018566 | 0.81 | PTGER1 (0.58) | ALDH1A1PTGER1PTGER4PTGER3PTGER2 | |
| SCHEMBL19251015 | 0.81 | MAOA (0.46) | ALDH1A1MAPTMEN1HTTKMT2A | |
| SCHEMBL22701017 | 0.80 | L3MBTL1 (0.54) | ALDH1A1MAPTMEN1HTTKMT2A | |
| SCHEMBL9232182 | 0.79 | SLC6A4 (0.45) | PTGER1PTGER4PTGER3PTGER2DRD2 | |
| SCHEMBL19251545 | 0.79 | THRA (0.47) | ALDH1A1PTGER1MEN1HTTKMT2A | |
| SCHEMBL3958050 | 0.78 | GPR55 (0.50) | ALDH1A1KDM4EGAACYP3A4CYP2D6 | |
| SCHEMBL30024107 | 0.78 | DRD1 (0.48) | ALDH1A1PTGER1PTGER4PTGER3PTGER2 | |
| SCHEMBL28870072 | 0.78 | SLC6A9 (0.49) | PTGER1PTGER4PTGER3PTGER2KDM4E | |
| SCHEMBL1332146 | 0.77 | PTGDR2 (0.61) | PTGER1PTGER4PTGER3PTGER2KDM4E |
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-2017137955-A1 | NOVEL (R) AND RAC 3-(2-(ALLYLOXY)-5-METHYLPHENYL)-N,N-DIISOPROPYL-3- PHENYLPROPAN-1-AMINE AND ITS USE FOR SYNTHESIS OF (R) AND RAC-2-(3- (DIISOPROPYLAMINO)-1-PHENYLPROPYL)-4-(HYDROXYMETHYL)PHENOL | CELESTIS PHARMACEUTICALS PVT. LTD. (IN) | 2017-08-17 | — | — | WO | disclosed |