Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 3/20 | 0.40 |
| ▸ | KDM1A | O60341 | 2/20 | 0.39 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | LSS | P48449 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 6/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22480040 | 0.85 | KDM1A (0.39) | SLC6A4KDM1ARCOR1TSHRMAOB | |
| SCHEMBL13070080 | 0.79 | HRH4 (0.50) | SLC6A4TSHRLSSSLC6A3TDP1 | |
| SCHEMBL106741 | 0.73 | HTR2C (0.54) | SLC6A4TSHRMAOBHTR2CALDH1A1 | |
| Iodide SCHEMBL29203661 | 0.72 | HTR2C (0.52) | SLC6A4TSHRMAOBHTR2CALDH1A1 | |
| Bromide SCHEMBL29203657 | 0.72 | HTR2C (0.52) | SLC6A4TSHRMAOBHTR2CALDH1A1 | |
| Hydrochloric Acid SCHEMBL13268897 | 0.72 | MAOB (0.53) | SLC6A4TSHRMAOBHTR2CALDH1A1 | |
| SCHEMBL17487346 | 0.70 | GRM2 (0.47) | TSHRALDH1A1 | |
| SCHEMBL20346553 | 0.70 | GRM2 (0.47) | TSHRALDH1A1 | |
| SCHEMBL22479937 | 0.69 | HTR2C (0.41) | KDM1ARCOR1MAOBHTR2CCYP3A4 | |
| Hydrochloric Acid SCHEMBL20582536 | 0.69 | GRM2 (0.47) | KDM1ARCOR1TSHRALDH1A1 |
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-2017216283-A1 | HETEROCYCLIC COMPOUNDS AS ANTIBACTE RIALS | JANSSEN SCIENCES IRELAND UC (IE) | 2017-12-21 | — | — | WO | disclosed |