Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.40 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.40 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | FLT3 | P36888 | 1/20 | 0.39 |
| ▸ | CDC7 | O00311 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13539292 | 0.85 | SMN1; SMN2 (0.50) | SMN1; SMN2MEN1KMT2AMAPK1RAB9A | |
| SCHEMBL570062 | 0.83 | PIN1 (0.47) | SMN1; SMN2MEN1KMT2AMAPK1RAB9A | |
| SCHEMBL24198730 | 0.78 | ALDH1A1 (0.40) | SMN1; SMN2MEN1KMT2AMAPK1RAB9A | |
| SCHEMBL6852749 | 0.76 | KDM4E (0.57) | SMN1; SMN2MEN1KMT2ARAB9AHPGD | |
| SCHEMBL15554800 | 0.74 | HCAR2 (0.35) | NCOA1NCOA3FLT3 | |
| SCHEMBL27658275 | 0.74 | HAO2 (0.54) | LMNAKDM4E | |
| SCHEMBL20798457 | 0.72 | HCAR2 (0.42) | FLT3 | |
| SCHEMBL873201 | 0.70 | AKT2 (0.53) | SMN1; SMN2MEN1KMT2AMAPK1RAB9A | |
| SCHEMBL4964605 | 0.70 | HAO2 (0.53) | LMNA | |
| SCHEMBL16197762 | 0.70 | ALPL (0.46) | SMN1; SMN2RAB9ANPC1LMNAKDM4E |
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-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 |