Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | DHFR | P00374 | 1/20 | 0.41 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.41 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9324642 | 0.84 | POLB (0.45) | KCNH2RAB9ANPC1SMN1; SMN2DHFR | |
| SCHEMBL17397384 | 0.75 | CDK5 (0.44) | — | |
| SCHEMBL10552821 | 0.74 | RAB9A (0.76) | KCNH2KMT2AMEN1RAB9ANPC1 | |
| SCHEMBL17907876 | 0.74 | ROCK2 (0.45) | KMT2AMEN1RAB9A | |
| SCHEMBL31298388 | 0.69 | HRH4 (0.42) | — | |
| SCHEMBL1345118 | 0.69 | MAOB (0.57) | KCNH2RAB9ANPC1SMN1; SMN2DRD2 | |
| SCHEMBL8127847 | 0.69 | HRH4 (0.42) | KDM4EALDH1A1 | |
| SCHEMBL12336950 | 0.69 | TLR8 (0.47) | KDM4E | |
| SCHEMBL31228137 | 0.69 | NUDT1 (0.47) | RAB9ANPC1 | |
| SCHEMBL27886311 | 0.68 | S1PR4 (0.38) | RAB9ASMN1; SMN2KDM4EDHFR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2271622-A2 | HETEROARYL DERIVATIVES AS CFTR MODULATORS | Vertex Pharmaceuticals Incorporated (US) | 2011-01-12 | — | — | EP | disclosed |
| WO-2009108657-A2 | HETEROARYL DERIVATIVES AS CFTR MODULATORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-09-03 | — | — | WO | disclosed |