Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | AGXT | P21549 | 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 | |
|---|---|---|---|---|
| SCHEMBL8447346 | 0.84 | IDO1 (0.33) | IDO1TSHR | |
| SCHEMBL28056120 | 0.82 | TACR1 (0.40) | IDO1 | |
| SCHEMBL7596361 | 0.77 | ALDH1A1 (0.43) | IDO1TAAR1 | |
| SCHEMBL17994035 | 0.77 | NOTUM (0.40) | IDO1TAAR1 | |
| SCHEMBL5442950 | 0.75 | ALDH1A1 (0.30) | — | |
| SCHEMBL3070777 | 0.75 | POLB (0.42) | TSHRTDP1 | |
| SCHEMBL1044848 | 0.75 | IDO1 (0.44) | IDO1TAAR1CYP3A4TSHRTDP1 | |
| SCHEMBL1542275 | 0.73 | IDO1 (0.48) | IDO1TAAR1CYP3A4TSHRTDP1 | |
| SCHEMBL2197501 | 0.73 | — | — | |
| SCHEMBL7600112 | 0.73 | IDO1 (0.38) | IDO1TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2825536-B1 | BIS-QUARTERNARY CINCHONA ALKALOID SALTS AS ASYMMETRIC PHASE TRANSFER CATALYSTS | MERCK SHARP & DOHME (US) | 2020-06-17 | — | — | EP | disclosed |