Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A7 | Q99884 | 3/20 | 0.54 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20140928 | 0.82 | SLC6A7 (0.42) | SLC6A7HSD17B10CYP2D6ALDH1A1KDM4E | |
| SCHEMBL2856220 | 0.71 | GAA (0.61) | SLC6A7HSD17B10ALDH1A1KDM4ECYP2C19 | |
| SCHEMBL18125946 | 0.70 | IDO1 (0.37) | IDO1CYP2C19LMNATSHR | |
| SCHEMBL25192984 | 0.69 | IDO1 (0.47) | SLC6A7IDO1 | |
| SCHEMBL3076557 | 0.69 | KDM4E (0.56) | SLC6A7HSD17B10ALDH1A1KDM4ECYP2C19 | |
| SCHEMBL15416474 | 0.69 | MEN1 (0.58) | HSD17B10CYP2D6ALDH1A1KDM4ECYP2C19 | |
| SCHEMBL20565247 | 0.69 | HSD17B10 (0.47) | HSD17B10CYP2D6ALDH1A1KDM4ECYP2C19 | |
| SCHEMBL31713625 | 0.68 | GPR119 (0.52) | HSD17B10CYP2D6ALDH1A1CYP2C19MEN1 | |
| SCHEMBL23122651 | 0.67 | IDO1 (0.45) | SLC6A7IDO1ALDH1A1KDM4EMEN1 | |
| SCHEMBL21635218 | 0.66 | IDO1 (0.37) | IDO1ALDH1A1 |
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-2014184248-A2 | TRPA1 ANTAGONIST COMPOUNDS | Acturum Life Science AB (SE) | 2014-11-20 | — | — | WO | disclosed |