Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | STS | P08842 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 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 | |
|---|---|---|---|---|
| SCHEMBL13356272 | 1.00 | ALDH1A1 (0.39) | ALDH1A1KDM4EMAPTSMN1; SMN2THRB | |
| SCHEMBL14216279 | 0.91 | HRH3 (0.39) | ALDH1A1KDM4EMAPTSMN1; SMN2THRB | |
| SCHEMBL13356232 | 0.88 | KDM4E (0.40) | ALDH1A1KDM4EMAPTSMN1; SMN2GAA | |
| SCHEMBL13356207 | 0.88 | ALDH1A1 (0.50) | ALDH1A1KDM4EMAPTSMN1; SMN2THRB | |
| SCHEMBL13356274 | 0.88 | ALDH1A1 (0.50) | ALDH1A1KDM4EMAPTSMN1; SMN2THRB | |
| SCHEMBL13862077 | 0.88 | ALDH1A1 (0.50) | ALDH1A1KDM4EMAPTSMN1; SMN2THRB | |
| SCHEMBL13356270 | 0.82 | ALDH1A1 (0.36) | ALDH1A1KDM4EMAPTSMN1; SMN2LMNA | |
| SCHEMBL14216399 | 0.80 | HRH3 (0.35) | ALDH1A1KDM4EMAPTSMN1; SMN2GAA | |
| SCHEMBL8035192 | 0.80 | HRH3 (0.35) | ALDH1A1KDM4EMAPTSMN1; SMN2GAA | |
| SCHEMBL13862122 | 0.80 | HRH3 (0.39) | — |
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-2009082268-A2 | LIGANDS OF α-ADRENOCEPTORS AND OF DOPAMINE, HISTAMINE, IMIDAZOLINE AND SEROTONIN RECEPTORS AND THE USE THEREOF | ALLA CHEM, LLC (US) | 2009-07-02 | — | — | WO | disclosed |