Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.34 |
| ▸ | NAALAD2 | Q9Y3Q0 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MLYCD | O95822 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.31 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.31 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP3 | P08254 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28709191 | 0.85 | CYP2D6 (0.42) | CYP2D6CYP2C19FOLH1NAALAD2ALDH1A1 | |
| SCHEMBL6728949 | 0.80 | ALDH1A1 (0.46) | CYP2D6CYP2C19FOLH1NAALAD2ALDH1A1 | |
| SCHEMBL21462562 | 0.78 | CYP2D6 (0.37) | CYP2D6CYP2C19FOLH1NAALAD2ALDH1A1 | |
| SCHEMBL21462561 | 0.78 | CYP2D6 (0.37) | CYP2D6CYP2C19FOLH1NAALAD2ALDH1A1 | |
| SCHEMBL15201194 | 0.78 | CYP2D6 (0.37) | CYP2D6CYP2C19FOLH1NAALAD2ALDH1A1 | |
| SCHEMBL25275077 | 0.78 | CYP2D6 (0.37) | CYP2D6CYP2C19FOLH1NAALAD2ALDH1A1 | |
| SCHEMBL21462551 | 0.78 | CYP2D6 (0.37) | CYP2D6CYP2C19FOLH1NAALAD2ALDH1A1 | |
| SCHEMBL25354729 | 0.76 | GABRP (0.39) | CYP2D6CYP2C19FOLH1NAALAD2ALDH1A1 | |
| SCHEMBL15270313 | 0.74 | TRPA1 (0.36) | CYP2D6CYP2C19FOLH1NAALAD2ALDH1A1 | |
| SCHEMBL21813436 | 0.74 | MTNR1A (0.35) | CYP2D6CYP2C19FOLH1NAALAD2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020157652-A2 | CDK2 INHIBITORS | PFIZER INC. (US) | 2020-08-06 | — | — | WO | disclosed |