Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CTNNB1 | P35222 | 4/20 | 0.42 |
| ▸ | WNT3A | P56704 | 4/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | FASN | P49327 | 1/20 | 0.39 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12740156 | 0.85 | MEN1 (0.46) | MEN1ALDH1A1GAAKMT2ACTNNB1 | |
| SCHEMBL1465477 | 0.83 | MEN1 (0.50) | MEN1ALDH1A1GAAKMT2ACTNNB1 | |
| SCHEMBL1464997 | 0.81 | MEN1 (0.43) | MEN1ALDH1A1GAAKMT2ACTNNB1 | |
| SCHEMBL31430599 | 0.81 | MEN1 (0.46) | MEN1ALDH1A1GAAKMT2ACTNNB1 | |
| SCHEMBL31430612 | 0.81 | MEN1 (0.46) | MEN1ALDH1A1GAAKMT2ACTNNB1 | |
| SCHEMBL17656346 | 0.75 | SLC6A2 (0.48) | CTNNB1WNT3ATAS1R3TAS1R1DRD3 | |
| SCHEMBL19753148 | 0.72 | MAPK14 (0.38) | DRD3 | |
| SCHEMBL12486028 | 0.71 | NPC1 (0.49) | MEN1ALDH1A1GAAKMT2ANPC1 | |
| SCHEMBL17666657 | 0.71 | CTNNB1 (0.67) | MEN1ALDH1A1GAAKMT2ACTNNB1 | |
| SCHEMBL14457555 | 0.70 | DRD3 (0.44) | MEN1GAAKMT2ADRD3 |
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-2674428-B1 | Modulators of ATP-binding cassette transporters | VERTEX PHARMA (US) | 2016-04-06 | — | — | EP | disclosed |