Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | NAAA | Q02083 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | DGKA | P23743 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | RAD52 | P43351 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL95965 | 0.88 | ALDH1A1 (0.50) | ALDH1A1NAAAATMDGKATSHR | |
| SCHEMBL15876200 | 0.85 | ALDH1A1 (0.52) | ALDH1A1NAAAATMDGKATSHR | |
| SCHEMBL9001086 | 0.85 | ALDH1A1 (0.52) | ALDH1A1NAAAATMDGKATSHR | |
| SCHEMBL522692 | 0.85 | ALDH1A1 (0.52) | ALDH1A1NAAAATMDGKATSHR | |
| SCHEMBL95964 | 0.83 | ALDH1A1 (0.50) | ALDH1A1NAAAATMDGKATSHR | |
| Ammonia Solution, Strong SCHEMBL27789119 | 0.83 | ALDH1A1 (0.50) | ALDH1A1NAAAATMDGKATSHR | |
| SCHEMBL4897036 | 0.82 | NAAA (0.46) | ALDH1A1NAAAATMDGKATSHR | |
| SCHEMBL4440580 | 0.82 | NAAA (0.48) | ALDH1A1NAAAATMDGKATSHR | |
| SCHEMBL15234462 | 0.82 | NAAA (0.59) | ALDH1A1NAAAATMDGKATSHR | |
| SCHEMBL15796763 | 0.80 | NAAA (0.62) | ALDH1A1NAAADGKATSHRRAD52 |
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-2021211609-A1 | TREATMENT OF VIRAL PATHOLOGIES WITH EXOGENOUS KETONES | BUCK INSTITUTE FOR RESEARCH ON AGING (US) | 2021-10-21 | — | — | WO | disclosed |
| CN-104781419-A | SENSOR FOR NADP (H) AND DEVELOPMENT OF ALCOHOL DEHYDROGENASES | FORSCHUNGSZENTRUM JUELICH GMBH | 2015-07-15 | — | — | CN | disclosed |