Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ACP3 | P15309 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | DPP4 | P27487 | 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 | |
|---|---|---|---|---|
| SCHEMBL25207508 | 0.74 | ALDH1A1 (0.39) | ALDH1A1RECQLCYP3A4CYP2D6SLC6A2 | |
| SCHEMBL3685806 | 0.74 | TRPA1 (0.44) | ALDH1A1CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL28938736 | 0.74 | ALDH1A1 (0.39) | ALDH1A1RECQLCYP3A4CYP2D6SLC6A2 | |
| SCHEMBL28865641 | 0.74 | ALDH1A1 (0.39) | ALDH1A1RECQLCYP3A4CYP2D6SLC6A2 | |
| SCHEMBL17892069 | 0.73 | CHRNB2 (0.50) | ALDH1A1RECQLCHRNB2CHRNA4CYP3A4 | |
| SCHEMBL27836972 | 0.72 | TSHR (0.38) | ALDH1A1CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1200406 | 0.72 | TSHR (0.38) | ALDH1A1CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27836987 | 0.71 | LTA4H (0.41) | ALDH1A1TSHRKCNH2 | |
| SCHEMBL195228 | 0.71 | IDO1 (0.37) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1200863 | 0.70 | TSHR (0.36) | ALDH1A1CYP3A4CYP2D6SLC6A2SLC6A4 |
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-2016109501-A1 | AMIDE COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS | KAROS PHARMACEUTICALS, INC. (US) | 2016-07-07 | — | — | WO | disclosed |