Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ACE | P12821 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14563400 | 0.78 | CYP2D6 (0.49) | CYP2D6ALDH1A1POLBKMT2ANPC1 | |
| SCHEMBL15577104 | 0.77 | CYP2D6 (0.44) | CYP2D6ALDH1A1POLBKMT2ANPC1 | |
| SCHEMBL8469696 | 0.77 | PTGS1 (0.39) | CYP2D6ALDH1A1KMT2ANPC1RAB9A | |
| SCHEMBL9123138 | 0.76 | CYP2D6 (0.33) | CYP2D6 | |
| SCHEMBL4125043 | 0.75 | CYP2D6 (0.49) | CYP2D6ALDH1A1POLBKMT2ANPC1 | |
| SCHEMBL9786408 | 0.75 | EPHX1 (0.36) | ALDH1A1TP53CA1CA2 | |
| SCHEMBL14563318 | 0.75 | CYP2D6 (0.72) | CYP2D6ALDH1A1POLBKMT2ANPC1 | |
| SCHEMBL8900713 | 0.74 | CYP2D6 (0.49) | CYP2D6ALDH1A1POLBKMT2ANPC1 | |
| SCHEMBL28394560 | 0.74 | CYP2D6 (0.46) | CYP2D6ALDH1A1POLBKMT2AKDM4E | |
| SCHEMBL15577093 | 0.74 | CYP2D6 (0.42) | CYP2D6ALDH1A1POLBKMT2ANPC1 |
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-2014040636-A1 | UNSATURATED LACTONES AS ODORANTS | SYMRISE AG (DE) | 2014-03-20 | — | — | WO | disclosed |