Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 10/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 10/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 10/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | SRD5A1 | P18405 | 4/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | METAP1 | P53582 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22796908 | 0.85 | SLC6A2 (0.34) | SLC6A2SLC6A4SLC6A3HSD17B10ALDH1A1 | |
| SCHEMBL29809557 | 0.85 | SLC6A2 (0.34) | SLC6A2SLC6A4SLC6A3HSD17B10ALDH1A1 | |
| SCHEMBL23346755 | 0.79 | MAPT (0.34) | HSD17B10ALDH1A1 | |
| SCHEMBL16654882 | 0.79 | SLC6A4 (0.36) | SLC6A2SLC6A4SLC6A3SRD5A1NOTUM | |
| SCHEMBL21933883 | 0.77 | SLC6A2 (0.30) | SLC6A2SLC6A4SLC6A3SRD5A1 | |
| SCHEMBL14085050 | 0.77 | BRD4 (0.40) | SLC6A2SLC6A4SLC6A3SRD5A1ALDH1A1 | |
| SCHEMBL30385312 | 0.74 | HDAC3 (0.41) | SLC6A2SLC6A4SLC6A3CYP2D6HSD17B10 | |
| SCHEMBL1564351 | 0.74 | HDAC3 (0.41) | SLC6A2SLC6A4SLC6A3CYP2D6HSD17B10 | |
| Hydrochloric Acid SCHEMBL187276 | 0.72 | MAOA (0.41) | SLC6A2SLC6A4SLC6A3CYP2D6HSD17B10 | |
| Iodide SCHEMBL4322466 | 0.72 | HDAC3 (0.40) | SLC6A2SLC6A4SLC6A3CYP2D6HSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3041842-B1 | SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS | KAROS PHARMACEUTICALS INC (US) | 2019-10-23 | — | — | EP | disclosed |
| WO-2004014384-A2 | CYCLIC COMPOUNDS CONTAINING ZINC BINDING GROUPS AS MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-02-19 | — | — | WO | disclosed |