Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | FAAH | O00519 | 5/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.39 |
| ▸ | GALR3 | O60755 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | PLA2G2A | P14555 | 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 | |
|---|---|---|---|---|
| SCHEMBL296975 | 0.83 | TSHR (0.48) | TSHRALDH1A1FAAHCHRM2CHRM4 | |
| SCHEMBL5475493 | 0.81 | ALDH1A1 (0.38) | TSHRALDH1A1FAAHSMN1; SMN2THRB | |
| SCHEMBL1302084 | 0.79 | TSHR (0.52) | TSHRALDH1A1FAAHCHRM2CHRM4 | |
| SCHEMBL4444590 | 0.79 | TSHR (0.52) | TSHRALDH1A1FAAHCHRM2CHRM4 | |
| SCHEMBL4443385 | 0.79 | TSHR (0.52) | TSHRALDH1A1FAAHCHRM2CHRM4 | |
| SCHEMBL5610948 | 0.79 | TSHR (0.52) | TSHRALDH1A1FAAHCHRM2CHRM4 | |
| SCHEMBL1300727 | 0.79 | TSHR (0.52) | TSHRALDH1A1FAAHCHRM2CHRM4 | |
| SCHEMBL11425834 | 0.79 | TSHR (0.52) | TSHRALDH1A1FAAHCHRM2CHRM4 | |
| SCHEMBL7757360 | 0.79 | TSHR (0.52) | TSHRALDH1A1FAAHCHRM2CHRM4 | |
| SCHEMBL4326288 | 0.79 | ALDH1A1 (0.45) | TSHRALDH1A1FAAHCHRM2CHRM4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0759915-B1 | ASYMMETRIC SYNTHESIS OF CHIRAL SECONDARY ALCOHOLS | CELL THERAPEUTICS INC (US) | 2002-10-16 | — | — | EP | disclosed |
| EP-0759915-A1 | ASYMMETRIC SYNTHESIS OF CHIRAL SECONDARY ALCOHOLS | CELL THERAPEUTICS, INC. (US) | 1997-03-05 | — | — | EP | disclosed |
| WO-1995031450-A1 | ASYMMETRIC SYNTHESIS OF CHIRAL SECONDARY ALCOHOLS | CELL THERAPEUTICS, INC. (US) | 1995-11-23 | — | — | WO | disclosed |