Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | RAB9A | P51151 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.54 |
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
| ▸ | EYA3 | Q99504 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12470902 | 0.80 | NPC1 (0.48) | MEN1NPC1RAB9AKMT2ACYP2C19 | |
| SCHEMBL3263341 | 0.77 | CYP2C19 (0.58) | NPC1RAB9ACYP2C19EYA3ALDH1A1 | |
| SCHEMBL30753455 | 0.74 | CYP2C19 (0.54) | MEN1KMT2ACYP2C19MAOBEYA3 | |
| SCHEMBL30753472 | 0.74 | CYP2C19 (0.54) | MEN1NPC1RAB9AKMT2ACYP2C19 | |
| SCHEMBL1398779 | 0.72 | CYP2C19 (0.63) | MEN1RAB9AKMT2ACYP2C19EYA3 | |
| SCHEMBL9657351 | 0.72 | CYP2C19 (0.63) | MEN1NPC1RAB9AKMT2ACYP2C19 | |
| SCHEMBL18018241 | 0.71 | CYP2C19 (0.61) | MEN1KMT2ACYP2C19EYA3ALDH1A1 | |
| SCHEMBL4670295 | 0.71 | CYP2C19 (0.61) | CYP2C19EYA3ALDH1A1CYP2C9 | |
| SCHEMBL20441188 | 0.71 | CYP2C19 (0.61) | MEN1KMT2ACYP2C19EYA3LMNA | |
| SCHEMBL1919253 | 0.71 | CYP2C19 (0.61) | MEN1KMT2ACYP2C19EYA3ALDH1A1 |
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-2012049555-A1 | SPIROCYCLIC COMPOUNDS AS VOLTAGE-GATED SODIUM CHANNEL MODULATORS | LUPIN LIMITED (IN) | 2012-04-19 | — | — | WO | disclosed |