Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 4/20 | 0.41 |
| ▸ | DRD3 | P35462 | 4/20 | 0.41 |
| ▸ | DRD1 | P21728 | 3/20 | 0.41 |
| ▸ | DRD5 | P21918 | 3/20 | 0.41 |
| ▸ | BCL2 | P10415 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | HTR5A | P47898 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.37 |
| ▸ | METAP1 | P53582 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20896943 | 0.86 | MPO (0.45) | MPODRD2DRD3DRD1DRD5 | |
| SCHEMBL7934329 | 0.76 | PARP10 (0.33) | CYP11B2HTR5ACYP19A1METAP1 | |
| SCHEMBL22900627 | 0.72 | MEN1 (0.38) | DRD3DRD1CA2 | |
| SCHEMBL29809365 | 0.72 | MEN1 (0.38) | DRD3DRD1CA2 | |
| SCHEMBL10509271 | 0.72 | PARP1 (0.33) | CYP11B2HTR2AHTR2CHTR2BHTR5A | |
| SCHEMBL29531917 | 0.72 | HTR2A (0.38) | HTR2AHTR2CHTR2BHTR5A | |
| SCHEMBL16368593 | 0.71 | NPSR1 (0.39) | — | |
| SCHEMBL3657236 | 0.71 | DRD1 (0.41) | DRD2DRD3DRD1DRD5BCL2 | |
| SCHEMBL17026922 | 0.70 | BCL2 (0.42) | DRD2DRD3DRD1DRD5BCL2 | |
| SCHEMBL31022888 | 0.70 | CHRNB2 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3798214-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2021-03-31 | — | — | EP | disclosed |