Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | ESR1 | P03372 | 3/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | NR3C2 | P08235 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11492811 | 0.82 | GRIA4 (0.41) | — | |
| SCHEMBL9555071 | 0.81 | TAAR1 (0.43) | KDM4ETDP1TAAR1RIPK1 | |
| SCHEMBL11462243 | 0.77 | NPC1 (0.39) | SMN1; SMN2POLBCNR2 | |
| SCHEMBL6546771 | 0.75 | ESR1 (0.56) | ALDH1A1ESR1ESR2CYP3A4NR3C2 | |
| SCHEMBL11174182 | 0.72 | ALDH1A1 (0.44) | ALDH1A1ESR1ESR2CYP3A4NR3C2 | |
| SCHEMBL22223039 | 0.72 | ESR1 (0.52) | ALDH1A1ESR1ESR2CYP3A4NR3C2 | |
| SCHEMBL8750404 | 0.72 | ESR1 (0.52) | ALDH1A1ESR1ESR2CYP3A4NR3C2 | |
| SCHEMBL8750389 | 0.72 | ESR1 (0.57) | ALDH1A1ESR1ESR2CYP3A4NR3C2 | |
| SCHEMBL7535051 | 0.72 | ESR1 (0.75) | ALDH1A1ESR1ESR2CYP3A4NR3C2 | |
| SCHEMBL11459572 | 0.71 | GRIN2B (0.38) | ALDH1A1ESR1ESR2CYP3A4SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4202894-A | AGRICULTURE | HOFFMANN-LA ROCHE INC. (US) | 1980-05-13 | — | — | US | disclosed |