Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | HMGCR | P04035 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| SCHEMBL301323 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL2230995 | 0.96 | — | — | |
| Acetic Acid SCHEMBL27352200 | 0.93 | TSHR (0.50) | TSHRALDH1A1TP53CYP2D6CYP2C19 | |
| Dimethylamine SCHEMBL28338425 | 0.89 | TSHR (0.47) | TSHRALDH1A1TP53CYP2D6CYP2C19 | |
| Dalapon SCHEMBL45164 | 0.83 | — | — | |
| Dalapon SCHEMBL4895986 | 0.83 | TSHR (0.57) | TSHRALDH1A1TP53CYP2D6CYP2C19 | |
| Dalapon SCHEMBL11048266 | 0.80 | — | — | |
| SCHEMBL11672445 | 0.80 | TSHR (0.53) | TSHRALDH1A1TP53CYP2D6CYP2C19 | |
| SCHEMBL9705775 | 0.80 | — | — | |
| Dalapon SCHEMBL4446142 | 0.80 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8252564-B2 | Burkholderia multivorans strain and methods of using same | LG CHEM, LTD. (KR) | 2012-08-28 | — | — | US | disclosed |
| US-20110097768-A1 | Novel Burkholderia Multivorans LG 31-3, Amidase Produced From the Same, and Method for Resolution of Racemic Mixture Using the Same | LG CHEM, LTD. (KR) | 2011-04-28 | — | — | US | disclosed |