Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 7/20 | 0.39 |
| ▸ | BCHE | P06276 | 6/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2546545 | 0.90 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP3A4TSHRMEN1 | |
| Hydrochloric Acid SCHEMBL2834543 | 0.89 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP3A4TSHRMEN1 | |
| SCHEMBL2549233 | 0.89 | MEN1 (0.49) | ALDH1A1CYP1A2CYP3A4TSHRMEN1 | |
| Hydrochloric Acid SCHEMBL2834326 | 0.88 | MEN1 (0.48) | CYP3A4MEN1KMT2AACHEBCHE | |
| SCHEMBL29750185 | 0.83 | MEN1 (0.44) | ALDH1A1CYP1A2CYP3A4TSHRMEN1 | |
| SCHEMBL456750 | 0.83 | MEN1 (0.44) | ALDH1A1CYP1A2CYP3A4TSHRMEN1 | |
| Methane SCHEMBL13736906 | 0.82 | MEN1 (0.43) | ALDH1A1CYP1A2CYP3A4TSHRMEN1 | |
| Hydrochloric Acid SCHEMBL574759 | 0.82 | MEN1 (0.43) | ALDH1A1CYP1A2CYP3A4TSHRMEN1 | |
| Bromide SCHEMBL13737447 | 0.82 | MEN1 (0.43) | ALDH1A1CYP1A2CYP3A4TSHRMEN1 | |
| SCHEMBL2546127 | 0.81 | KMT2A (0.48) | ALDH1A1CYP1A2CYP3A4TSHRMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2613774-A2 | NOVEL USE | Helperby Therapeutics Limited (GB) | 2013-07-17 | — | — | EP | disclosed |
| WO-2012032360-A2 | NOVEL USE | HELPERBY THERAPEUTICS LIMITED (GB) | 2012-03-15 | — | — | WO | disclosed |