Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | HMGCR | P04035 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | TET2 | Q6N021 | 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 | |
|---|---|---|---|---|
| SCHEMBL889792 | 0.78 | TSHR (0.48) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL1158850 | 0.78 | — | — | |
| SCHEMBL5524511 | 0.76 | — | — | |
| SCHEMBL29709600 | 0.74 | — | — | |
| SCHEMBL2787473 | 0.74 | — | — | |
| SCHEMBL7262162 | 0.74 | TSHR (0.35) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL9677829 | 0.74 | TSHR (0.35) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL2323501 | 0.74 | — | — | |
| SCHEMBL2032597 | 0.72 | ALDH1A1 (0.43) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL7203718 | 0.72 | ALDH1A1 (0.38) | TSHRALDH1A1CYP2D6CYP2C19HIF1A |
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-0129774-B1 | PROCESS FOR THE PREPARATION OF ALDOLS | BASF Aktiengesellschaft (DE) | 1986-09-10 | — | — | EP | disclosed |
| US-4552985-A | Preparation of aldols | BASF AKTIENGESELLSCHAFT (DE) | 1985-11-12 | — | — | US | disclosed |
| EP-0129774-A1 | Process for the preparation of aldols | BASF Aktiengesellschaft (DE) | 1985-01-02 | — | — | EP | disclosed |