Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | KIT | P10721 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28633647 | 0.88 | MAPT (0.55) | ALDH1A1MAPTKITKMT2ACA1 | |
| SCHEMBL28618016 | 0.88 | ALDH1A1 (0.55) | CYP1A2ALDH1A1MAPTCYP19A1KMT2A | |
| SCHEMBL28615807 | 0.88 | ALDH1A1 (0.53) | CYP1A2ALDH1A1MAPTCYP19A1KMT2A | |
| SCHEMBL28631505 | 0.85 | MAPT (0.55) | CYP1A2ALDH1A1MAPTCYP19A1KMT2A | |
| SCHEMBL28621324 | 0.85 | MEN1 (0.57) | CYP1A2ALDH1A1MAPTCYP19A1KMT2A | |
| SCHEMBL28627987 | 0.81 | ALDH1A1 (0.56) | CYP1A2ALDH1A1MAPTCYP19A1KMT2A | |
| SCHEMBL28922648 | 0.78 | THRB (0.55) | CYP1A2ALDH1A1MAPTCYP19A1KMT2A | |
| SCHEMBL28616619 | 0.77 | SMN1; SMN2 (0.50) | CYP1A2ALDH1A1MAPTCYP19A1KMT2A | |
| SCHEMBL28619745 | 0.77 | HTT (0.52) | ALDH1A1MAPTKMT2ANPSR1MEN1 | |
| SCHEMBL28616278 | 0.77 | ALDH1A1 (0.44) | CYP1A2ALDH1A1MAPTCYP19A1KMT2A |
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-113214183-A | 5- (aminomethyl) -4-arylthiophene-2-amine derivative and preparation method thereof | 上海应用技术大学 | 2021-08-06 | — | — | CN | disclosed |