Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | THRB | P10828 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.51 |
| ▸ | LMNA | P02545 | 5/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.50 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | APP | P05067 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.49 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | F7 | P08709 | 1/20 | 0.47 |
| ▸ | F3 | P13726 | 1/20 | 0.47 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.47 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3654895 | 0.85 | ALDH1A1 (0.66) | ALDH1A1THRBMAPTKMT2ALMNA | |
| SCHEMBL29350345 | 0.85 | ALDH1A1 (0.66) | ALDH1A1THRBMAPTKMT2ALMNA | |
| SCHEMBL25295776 | 0.83 | ALDH1A1 (0.64) | ALDH1A1THRBKMT2ALMNATDP1 | |
| SCHEMBL1927639 | 0.83 | ALDH1A1 (0.64) | ALDH1A1THRBMAPTKMT2ALMNA | |
| Ethane SCHEMBL28042096 | 0.83 | ALDH1A1 (0.64) | ALDH1A1THRBMAPTKMT2ALMNA | |
| SCHEMBL25258813 | 0.82 | ALDH1A1 (0.62) | ALDH1A1THRBMAPTKMT2ALMNA | |
| SCHEMBL14168881 | 0.79 | ALDH1A1 (0.58) | ALDH1A1THRBMAPTKMT2ALMNA | |
| SCHEMBL28374928 | 0.79 | ALDH1A1 (0.58) | ALDH1A1THRBMAPTKMT2ALMNA | |
| Naphthalene SCHEMBL29572729 | 0.79 | ALDH1A1 (0.58) | ALDH1A1THRBKMT2ALMNATDP1 | |
| SCHEMBL28970002 | 0.79 | CYP2D6 (0.54) | ALDH1A1MAPTKMT2ALMNATDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105682686-A | Vehicle and topical composition for administration | 立普妥公司 | 2016-06-15 | — | — | CN | disclosed |