Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | GABRP | O00591 | 1/20 | 0.38 |
| ▸ | GABRD | O14764 | 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 | |
|---|---|---|---|---|
| SCHEMBL1505508 | 0.76 | SMN1; SMN2 (0.42) | ALDH1A1KDM4EMEN1LMNAKMT2A | |
| SCHEMBL845583 | 0.72 | SMN1; SMN2 (0.36) | ALDH1A1KDM4ELMNAKMT2ADPP4 | |
| SCHEMBL23776735 | 0.69 | SMN1; SMN2 (0.34) | ALDH1A1KDM4ELMNADPP4SMN1; SMN2 | |
| SCHEMBL14989307 | 0.69 | FFAR1 (0.44) | ALDH1A1NFKB1KDM4EMEN1LMNA | |
| SCHEMBL11114754 | 0.69 | FFAR1 (0.44) | ALDH1A1NFKB1KDM4EMEN1LMNA | |
| SCHEMBL4180060 | 0.69 | SMN1; SMN2 (0.35) | ALDH1A1KDM4EKMT2ATDP1GABRP | |
| SCHEMBL9420032 | 0.69 | GABRP (0.41) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL3184433 | 0.69 | KDM4E (0.39) | ALDH1A1KDM4ELMNAPKMDPP4 | |
| SCHEMBL16447451 | 0.69 | ESR1 (0.48) | ALDH1A1MEN1LMNACYP1A2CYP3A4 | |
| SCHEMBL29118334 | 0.68 | SMN1; SMN2 (0.33) | ALDH1A1KDM4ELMNASMN1; SMN2MAPK1 |
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 |