Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | SMYD2 | Q9NRG4 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL8174758 | 1.00 | ALDH1A1 (0.36) | ALDH1A1TDP1PTGS2CHRM2CHRM4 | |
| SCHEMBL17006101 | 0.83 | TBXAS1 (0.37) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL4455719 | 0.81 | TRPA1 (0.35) | ALDH1A1SMYD2NPSR1CYP3A4HTT | |
| SCHEMBL8175900 | 0.81 | TRPA1 (0.35) | ALDH1A1SMYD2NPSR1CYP3A4HTT | |
| SCHEMBL17019233 | 0.80 | CYP3A4 (0.42) | ALDH1A1GAACYP3A4SMN1; SMN2 | |
| SCHEMBL3596455 | 0.80 | ALOX15 (0.39) | ALDH1A1TDP1SMYD2RAD52CYP3A4 | |
| SCHEMBL31644586 | 0.80 | CYP3A4 (0.42) | ALDH1A1GAACYP3A4SMN1; SMN2 | |
| SCHEMBL13404990 | 0.80 | ALOX15 (0.39) | ALDH1A1TDP1SMYD2RAD52CYP3A4 | |
| SCHEMBL17006157 | 0.80 | TRPA1 (0.34) | ALDH1A1NPSR1CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL8892070 | 0.80 | FFAR1 (0.37) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000049019-A2 | NOVEL EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING THEM AND THEIR PHARMACEUTICAL USE | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-08-24 | — | — | WO | disclosed |