Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.35 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | RGS12 | O14924 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14233970 | 0.78 | KCNN4 (0.41) | KCNN4TSHRALDH1A1TAAR1SLC18A2 | |
| SCHEMBL19448773 | 0.73 | ALDH1A1 (0.50) | KCNN4TSHRALDH1A1TAAR1CYP2D6 | |
| SCHEMBL1167957 | 0.70 | ALDH1A1 (0.46) | KCNN4TSHRALDH1A1TAAR1SIGMAR1 | |
| Trifluoromethylbenzene SCHEMBL1768875 | 0.66 | TSHR (0.78) | KCNN4TSHRALDH1A1SIGMAR1CYP2D6 | |
| SCHEMBL10419000 | 0.66 | TSHR (0.52) | KCNN4TSHRALDH1A1CYP1A2PTPN1 | |
| SCHEMBL17922094 | 0.65 | — | — | |
| SCHEMBL17922085 | 0.65 | — | — | |
| SCHEMBL14268034 | 0.65 | — | — | |
| SCHEMBL12356881 | 0.64 | ALDH1A1 (0.50) | KCNN4TSHRALDH1A1TAAR1CYP2D6 | |
| SCHEMBL3879900 | 0.64 | KCNN4 (0.56) | KCNN4TSHRALDH1A1TAAR1CYP2D6 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1135349-B1 | PROCESS FOR PREPARING CHIRAL COMPOUNDS | UNIV ST ANDREWS (GB) | 2005-04-06 | — | — | EP | claimed |
| US-7126028-B1 | Process for preparing chiral compounds | THE UNIVERSITY COURT OF THE UNIVERSITY OF ST. ANDREWS (GB) | 2006-10-24 | — | — | US | disclosed |
| EP-1135349-B1 | PROCESS FOR PREPARING CHIRAL COMPOUNDS | UNIV ST ANDREWS (GB) | 2005-04-06 | — | — | EP | disclosed |
| EP-1135349-A1 | PROCESS FOR PREPARING CHIRAL COMPOUNDS | UNIVERSITY OF DURHAM (GB) | 2001-09-26 | — | — | EP | disclosed |
| WO-2000034210-A1 | PROCESS FOR PREPARING CHIRAL COMPOUNDS | UNIVERSITY OF DURHAM (GB) | 2000-06-15 | — | — | WO | disclosed |