Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | GRIN2B | Q13224 | 9/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30069347 | 0.90 | SMN1; SMN2 (0.56) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL4174279 | 0.88 | SMN1; SMN2 (0.50) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL4174274 | 0.88 | SMN1; SMN2 (0.50) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL4181131 | 0.88 | SMN1; SMN2 (0.50) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL30069379 | 0.87 | SMN1; SMN2 (0.60) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL30069368 | 0.80 | SMN1; SMN2 (0.56) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL4187343 | 0.80 | SMN1; SMN2 (0.50) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL4169595 | 0.80 | SMN1; SMN2 (0.50) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL4187339 | 0.80 | SMN1; SMN2 (0.50) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL4180033 | 0.80 | SMN1; SMN2 (0.50) | SMN1; SMN2NPC1RAB9ACYP2C19HTT |
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-2022237649-A1 | EXOCYCLIC AMINO QUINAZOLINE DERIVATIVES AS KRAS INHIBITORS | NIKANG THERAPEUTICS, INC. (US) | 2022-11-17 | — | — | WO | disclosed |