Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH2 | P05091 | 1/20 | 0.77 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.67 |
| ▸ | RECQL | P46063 | 2/20 | 0.65 |
| ▸ | TP53 | P04637 | 1/20 | 0.65 |
| ▸ | CRHBP | P24387 | 1/20 | 0.65 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.65 |
| ▸ | LMNA | P02545 | 2/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.63 |
| ▸ | NPC1 | O15118 | 1/20 | 0.61 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | HPGD | P15428 | 2/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.60 |
| ▸ | MMP13 | P45452 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL10107747 | 0.90 | ALDH2 (0.81) | ALDH2TDP1RECQLTP53CRHBP | |
| SCHEMBL503808 | 0.87 | ALDH2 (1.00) | ALDH2RECQLTP53CRHBPCRHR2 | |
| SCHEMBL16864900 | 0.85 | ALDH2 (0.74) | ALDH2TDP1RECQLTP53CRHBP | |
| SCHEMBL10107746 | 0.85 | ALDH2 (0.77) | ALDH2RECQLTP53CRHBPCRHR2 | |
| SCHEMBL13435808 | 0.83 | ALDH2 (0.74) | ALDH2TDP1RECQLTP53CRHBP | |
| SCHEMBL13435819 | 0.82 | ALDH2 (0.69) | ALDH2TDP1RECQLTP53CRHBP | |
| SCHEMBL10107753 | 0.82 | ALDH2 (0.73) | ALDH2TDP1RECQLTP53CRHBP | |
| SCHEMBL17546397 | 0.81 | ALDH2 (0.64) | ALDH2TDP1RECQLTP53CRHBP | |
| SCHEMBL16864899 | 0.81 | ALDH2 (0.64) | ALDH2TDP1RECQLTP53CRHBP | |
| SCHEMBL10107725 | 0.81 | ALDH2 (0.70) | ALDH2TDP1RECQLTP53CRHBP |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9315484-B2 | Mitochondrial aldehyde dehydrogenase-2 modulators and methods of use thereof | The Board of Trustees—Leland Stanford Junior University (US) | 2016-04-19 | — | — | US | disclosed |
| US-9273025-B2 | — | — | 2016-03-01 | — | — | US | disclosed |
| US-9102651-B2 | Mitochondrial aldehyde dehydrogenase-2 modulators and methods of use thereof | The Board of Trustees-Leland Stanford Junior University (US) | 2015-08-11 | — | — | US | disclosed |