Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | HMGCR | P04035 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.34 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ARG1 | P05089 | 1/20 | 0.32 |
| ▸ | ARG2 | P78540 | 1/20 | 0.32 |
| ▸ | ACLY | P53396 | 1/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | CPT2 | P23786 | 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 | |
|---|---|---|---|---|
| SCHEMBL7679376 | 0.84 | TSHR (0.36) | ALDH1A1TSHRMEN1KMT2AFFAR1 | |
| SCHEMBL8934753 | 0.82 | CYP4F2 (0.39) | ALDH1A1TSHRMEN1CYP1A2THRB | |
| SCHEMBL11399339 | 0.78 | TSHR (0.45) | ALDH1A1TSHRHMGCRCHRM1TBXA2R | |
| SCHEMBL1036165 | 0.78 | ALDH1A1 (0.45) | ALDH1A1TSHRHMGCRCHRM1TBXA2R | |
| SCHEMBL6937150 | 0.74 | TSHR (0.40) | ALDH1A1TSHRHMGCRCHRM1TBXA2R | |
| SCHEMBL580509 | 0.73 | TSHR (0.44) | ALDH1A1TSHRHMGCRCHRM1TBXA2R | |
| SCHEMBL10954981 | 0.72 | ALDH1A1 (0.38) | ALDH1A1TSHRHMGCRCHRM1TBXA2R | |
| SCHEMBL10830599 | 0.72 | TSHR (0.38) | ALDH1A1TSHRHMGCRCHRM1TBXA2R | |
| SCHEMBL28448094 | 0.72 | ALDH1A1 (0.38) | ALDH1A1TSHRHMGCRCHRM1TBXA2R | |
| SCHEMBL5277664 | 0.72 | TSHR (0.38) | ALDH1A1TSHRHMGCRCHRM1TBXA2R |
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-1080082-B1 | INTERMEDIATES FOR THE SYNTHESIS OF EPOTHILONES AND METHODS FOR THEIR PREPARATION | NOVARTIS AG (CH) | 2004-10-06 | — | — | EP | claimed |