Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 6/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.41 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.40 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | CTSA | P10619 | 2/20 | 0.38 |
| ▸ | SYK | P43405 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10316893 | 0.85 | FFAR1 (0.48) | PTGDR2FFAR1PTPN1SIRT2FFAR4 | |
| SCHEMBL12986211 | 0.85 | PTGDR2 (0.51) | PTGDR2FFAR1PTPN1FFAR4 | |
| SCHEMBL22982794 | 0.77 | KDM4E (0.52) | SIRT2NPC1 | |
| SCHEMBL11415896 | 0.76 | LTA4H (0.60) | LTA4HNPC1MEN1KMT2A | |
| SCHEMBL7734877 | 0.76 | BCHE (0.50) | FFAR1PTPN1FFAR4 | |
| SCHEMBL1672424 | 0.75 | FFAR1 (0.58) | PTGDR2FFAR1FFAR4CTSA | |
| SCHEMBL3997102 | 0.74 | FFAR4 (0.64) | PTGDR2FFAR1FFAR4 | |
| SCHEMBL8419807 | 0.74 | LTA4H (0.45) | PTGDR2LTA4H | |
| SCHEMBL1107166 | 0.73 | SIRT2 (0.52) | SIRT2FFAR4MEN1KMT2A | |
| SCHEMBL11301144 | 0.73 | PTGER1 (0.52) | PTGDR2FFAR1PTPN1FFAR4MEN1 |
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 |