Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | DPP4 | P27487 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | PTPRC | P08575 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | MIF | P14174 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30335991 | 0.92 | CYP2A6 (0.50) | IDO1CYP2A6ALDH1A1DPP4TSHR | |
| SCHEMBL4445751 | 0.86 | ALDH1A1 (0.54) | IDO1CYP2A6ALDH1A1DPP4TSHR | |
| SCHEMBL2769483 | 0.83 | TSHR (0.52) | IDO1ALDH1A1TSHR | |
| SCHEMBL30146815 | 0.82 | CYP2A6 (0.64) | CYP2A6ALDH1A1DPP4NPC1RAB9A | |
| SCHEMBL19656484 | 0.82 | HSD11B1 (0.43) | IDO1CYP2A6ALDH1A1DPP4TSHR | |
| SCHEMBL931951 | 0.82 | IDO1 (0.44) | IDO1ALDH1A1PIK3CAKDM4EKMT2A | |
| SCHEMBL4609632 | 0.82 | ALDH1A1 (0.46) | IDO1CYP2A6ALDH1A1TSHRNPC1 | |
| SCHEMBL669192 | 0.81 | CYP2A6 (0.62) | IDO1CYP2A6ALDH1A1TSHRHPGD | |
| SCHEMBL671133 | 0.81 | CYP2A6 (0.67) | IDO1CYP2A6ALDH1A1DPP4TSHR | |
| SCHEMBL29802156 | 0.81 | CYP2A6 (0.67) | IDO1CYP2A6ALDH1A1DPP4TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011002408-A1 | NOVEL COMPOUNDS FOR TREATMENT OF NEURODEGENERATION ASSOCIATED WITH DISEASES, SUCH AS ALZHEIMER'S DISEASE OR DEMENTIA | ASTRAZENECA AB (SE) | 2011-01-06 | — | — | WO | claimed |
| EP-1494995-B1 | 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS | PROCTER & GAMBLE (US) | 2010-09-22 | — | — | EP | claimed |