Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | CLPP | Q16740 | 1/20 | 0.40 |
| ▸ | CFTR | P13569 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | GPER1 | Q99527 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ULK1 | O75385 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18400325 | 0.92 | HDAC3 (0.42) | HDAC3HDAC1HDAC2HDAC6CFTR | |
| SCHEMBL18400435 | 0.89 | HDAC3 (0.42) | HDAC3HDAC1HDAC2HDAC6CFTR | |
| SCHEMBL18400383 | 0.85 | HDAC3 (0.42) | HDAC3HDAC1HDAC2HDAC6CFTR | |
| SCHEMBL18400324 | 0.84 | HDAC6 (0.41) | HDAC3HDAC1HDAC2HDAC6CFTR | |
| SCHEMBL12026803 | 0.83 | CFTR (0.55) | CFTR | |
| SCHEMBL18400323 | 0.82 | MEN1 (0.45) | HDAC3HDAC1HDAC2HDAC6CFTR | |
| SCHEMBL18400346 | 0.80 | LMNA (0.48) | HDAC3HDAC1HDAC2HDAC6CFTR | |
| SCHEMBL18400321 | 0.80 | MAPT (0.49) | HDAC3HDAC1HDAC2HDAC6CFTR | |
| SCHEMBL12026805 | 0.75 | CFTR (0.55) | CFTRLMNAMAPT | |
| SCHEMBL2202153 | 0.75 | ABL1 (0.46) | CFTRKMT2AMEN1KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9550761-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-01-24 | — | — | US | disclosed |