Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | HTT | P42858 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28627987 | 0.94 | ALDH1A1 (0.56) | ALDH1A1PKMMAPTCYP1A2CA12 | |
| SCHEMBL28922648 | 0.90 | THRB (0.55) | ALDH1A1PKMMAPTCYP1A2CA12 | |
| SCHEMBL28633647 | 0.88 | MAPT (0.55) | ALDH1A1PKMMAPTCA9SMN1; SMN2 | |
| SCHEMBL28616619 | 0.88 | SMN1; SMN2 (0.50) | ALDH1A1PKMMAPTCYP1A2CA12 | |
| SCHEMBL28619745 | 0.88 | HTT (0.52) | ALDH1A1PKMMAPTL3MBTL1SMN1; SMN2 | |
| SCHEMBL28616617 | 0.88 | CYP1A2 (0.49) | ALDH1A1PKMMAPTCYP1A2CA9 | |
| SCHEMBL28615807 | 0.88 | ALDH1A1 (0.53) | ALDH1A1PKMMAPTCYP1A2CYP3A4 | |
| SCHEMBL28616278 | 0.88 | ALDH1A1 (0.44) | ALDH1A1PKMMAPTCYP1A2CA12 | |
| SCHEMBL28631505 | 0.87 | MAPT (0.55) | ALDH1A1MAPTCYP1A2CYP3A4KMT2A | |
| SCHEMBL28620817 | 0.86 | ALDH1A1 (0.56) | ALDH1A1MAPTSMN1; SMN2GAAKMT2A |
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 |