Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | PNMT | P11086 | 2/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | FBP1 | P09467 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9222001 | 1.00 | ALDH1A1 (0.39) | ALDH1A1TSHRTDP1PNMTCHRM5 | |
| SCHEMBL15109021 | 1.00 | ALDH1A1 (0.39) | ALDH1A1TSHRTDP1PNMTCHRM5 | |
| SCHEMBL29726985 | 1.00 | ALDH1A1 (0.39) | ALDH1A1TSHRTDP1PNMTCHRM5 | |
| SCHEMBL29404871 | 0.81 | ALDH1A1 (0.42) | ALDH1A1TSHRTDP1PNMTCHRM5 | |
| SCHEMBL2197905 | 0.81 | ALDH1A1 (0.42) | ALDH1A1TSHRTDP1PNMTCHRM5 | |
| SCHEMBL18331401 | 0.79 | ALDH1A1 (0.41) | ALDH1A1TSHRTDP1PNMTCHRM5 | |
| SCHEMBL8274402 | 0.77 | ALDH1A1 (0.44) | ALDH1A1TSHRTDP1PNMTCHRM5 | |
| SCHEMBL20048803 | 0.77 | ALDH1A1 (0.44) | ALDH1A1TSHRTDP1PNMTCHRM5 | |
| SCHEMBL17071828 | 0.75 | TSHR (0.44) | ALDH1A1TSHR | |
| SCHEMBL4592337 | 0.75 | ALDH1A1 (0.46) | ALDH1A1TSHRTDP1PNMTCHRM5 |
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-2018065611-A1 | 2-AMINO-N-(ARYLSULFINYL)-ACETAMIDE COMPOUNDS AS INHIBITORS OF BACTERIAL AMINOACYL-TRNA SYNTHETASE | Oxford Drug Design Limited (GB) | 2018-04-12 | — | — | WO | disclosed |