Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 5/20 | 0.45 |
| ▸ | HSP90AB1 | P08238 | 4/20 | 0.45 |
| ▸ | HRH1 | P35367 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | GMNN | O75496 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29354893 | 0.83 | CCR1 (0.55) | HSP90AA1ALDH1A1KDM4ELMNAMEN1 | |
| SCHEMBL8193 | 0.83 | CCR1 (0.55) | HSP90AA1ALDH1A1KDM4ELMNAMEN1 | |
| SCHEMBL28304525 | 0.83 | CCR1 (0.55) | HSP90AA1ALDH1A1KDM4ELMNAMEN1 | |
| Hydroxyamine SCHEMBL1686705 | 0.80 | KDM4E (0.52) | HSP90AA1HSP90AB1ALDH1A1KDM4ELMNA | |
| Hydrochloric Acid SCHEMBL2284189 | 0.80 | CCR1 (0.52) | HSP90AA1ALDH1A1KDM4ELMNAMEN1 | |
| Bromide SCHEMBL31044093 | 0.80 | CCR1 (0.52) | HSP90AA1ALDH1A1KDM4ELMNAMEN1 | |
| SCHEMBL32685215 | 0.80 | CCR1 (0.52) | HSP90AA1ALDH1A1KDM4ELMNAMEN1 | |
| Ammonia Solution, Strong SCHEMBL2732606 | 0.80 | CCR1 (0.52) | HSP90AA1ALDH1A1KDM4ELMNAMEN1 | |
| Water SCHEMBL8327751 | 0.80 | CCR1 (0.52) | HSP90AA1ALDH1A1KDM4ELMNAMEN1 | |
| Hydrochloric Acid SCHEMBL3704753 | 0.80 | CCR1 (0.52) | HSP90AA1ALDH1A1KDM4ELMNAMEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3203840-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2017-08-16 | — | — | EP | disclosed |
| WO-2016057572-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | MILLER MARK THOMAS (US) | 2016-04-14 | — | — | WO | disclosed |
| EP-2245026-A1 | SPIROCYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND METHOD FOR THEIR PRODUCTION | Boehringer Ingelheim International GmbH (DE) | 2010-11-03 | — | — | EP | disclosed |
| WO-2009098061-A1 | SPIROCYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND METHOD FOR THEIR PRODUCTION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-08-13 | — | — | WO | disclosed |