Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.43 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.43 |
| ▸ | F7 | P08709 | 1/20 | 0.42 |
| ▸ | F3 | P13726 | 1/20 | 0.42 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.42 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.42 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.42 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.42 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.42 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.42 |
| ▸ | SIRT4 | Q9Y6E7 | 1/20 | 0.42 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL18469285 | 0.85 | ALDH1A1 (0.52) | ALDH1A1TBXAS1APPGAAHCAR3 | |
| SCHEMBL6921845 | 0.85 | ALDH1A1 (0.52) | ALDH1A1TBXAS1APPGAAHCAR3 | |
| SCHEMBL17135323 | 0.85 | ALDH1A1 (0.52) | ALDH1A1TBXAS1APPGAAHCAR3 | |
| Ammonia Solution, Strong SCHEMBL27802137 | 0.83 | TBXAS1 (0.50) | ALDH1A1TBXAS1APPGAAHCAR3 | |
| Niacin SCHEMBL8962366 | 0.81 | ALDH1A1 (0.70) | ALDH1A1KMT2AAPPGAAHCAR3 | |
| SCHEMBL12309125 | 0.73 | ALDH1A1 (0.60) | ALDH1A1TBXAS1KMT2AAPPGAA | |
| SCHEMBL2279492 | 0.73 | ALDH1A1 (0.60) | ALDH1A1TBXAS1KMT2AAPPGAA | |
| SCHEMBL2279497 | 0.73 | ALDH1A1 (0.60) | ALDH1A1TBXAS1KMT2AAPPGAA | |
| SCHEMBL28194257 | 0.71 | ALDH1A1 (0.50) | ALDH1A1TBXAS1KMT2AAPPGAA | |
| Niacin SCHEMBL10940061 | 0.71 | ALDH1A1 (0.70) | ALDH1A1KMT2AAPPGAAHCAR3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104271509-A | Magnesium fluoride particle, method for producing magnesium fluoride particle, magnesium fluoride particle dispersion, method for producing magnesium fluoride particle dispersion, composition for forming layer having low refractive index, method for producing composition for forming layer having low refractive index, substrate with layer having low refractive index, and method for producing substrate with layer having low refractive index | STELLA CHEMIFA CORP | 2015-01-07 | — | — | CN | disclosed |
| US-4177142-A | CLUMPING | ECODYNE CORPORATION (US) | 1979-12-04 | — | — | US | disclosed |
| US-4001151-A | DENTURE ADHESIVES, POLYETHYLENE, POLYPROPYLENE | WARNER-LAMBERT COMPANY (US) | 1977-01-04 | — | — | US | disclosed |