Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B10 | O60218 | 1/20 | 0.48 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.48 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.48 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | TET3 | O43151 | 1/20 | 0.44 |
| ▸ | FBXL19 | Q6PCT2 | 1/20 | 0.44 |
| ▸ | CXXC5 | Q7LFL8 | 1/20 | 0.44 |
| ▸ | TET1 | Q8NFU7 | 1/20 | 0.44 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.44 |
| ▸ | CXXC4 | Q9H2H0 | 1/20 | 0.44 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.44 |
| ▸ | HNF4A | P41235 | 2/20 | 0.41 |
| ▸ | RXRA | P19793 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 2/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19753275 | 0.83 | RXRA (0.47) | AKR1B10AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL19469640 | 0.83 | AKR1C3 (0.51) | AKR1B10AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL2846353 | 0.79 | AKR1C1 (0.48) | AKR1C1KMT2ATSHRMEN1RXRA | |
| SCHEMBL15094956 | 0.79 | KDM4E (0.55) | KMT2AMEN1APPCYP2C19 | |
| SCHEMBL10110060 | 0.77 | AKR1C1 (0.57) | AKR1B10AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL15256611 | 0.77 | LMNA (0.38) | AKR1B10AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL4342214 | 0.76 | KMT2A (0.68) | AKR1C1KMT2ATSHRMEN1TET3 | |
| SCHEMBL20819570 | 0.74 | KMT2A (0.38) | KMT2ATSHRMEN1TET3FBXL19 | |
| SCHEMBL30223686 | 0.74 | LMNA (0.50) | AKR1B10AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL1465569 | 0.74 | LMNA (0.50) | AKR1B10AKR1C4AKR1C3AKR1C2AKR1C1 |
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-3882245-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2021-09-22 | — | — | EP | disclosed |
| EP-3327016-A1 | PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2018-05-30 | — | — | EP | disclosed |