Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | PRKDC | P78527 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1882375 | 0.97 | KMT2A (0.51) | KMT2ANR1H4PKMALDH1A1MAPT | |
| SCHEMBL29880993 | 0.92 | NR1H4 (0.55) | KMT2ANR1H4ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL1892877 | 0.92 | NR1H4 (0.55) | KMT2ANR1H4ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL29880865 | 0.89 | NR1H4 (0.53) | KMT2ANR1H4PKMALDH1A1MAPT | |
| SCHEMBL1886566 | 0.89 | NR1H4 (0.53) | KMT2ANR1H4PKMALDH1A1MAPT | |
| SCHEMBL1892036 | 0.88 | NR1H4 (0.58) | KMT2ANR1H4ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL29881743 | 0.88 | NR1H4 (0.58) | KMT2ANR1H4ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL1888550 | 0.85 | NR1H4 (0.48) | KMT2ANR1H4PKMALDH1A1MAPT | |
| SCHEMBL1886228 | 0.83 | NR1H4 (0.58) | KMT2ANR1H4PKMALDH1A1MAPT | |
| SCHEMBL29880653 | 0.83 | NR1H4 (0.68) | KMT2ANR1H4ALDH1A1MAPTSMN1; SMN2 |
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-2262785-A1 | BENZOFURANE, BENZOTHIOPHENE, BENZOTHIAZOL DERIVATIVES AS FXR MODULATORS | Merck Patent GmbH (DE) | 2010-12-22 | — | — | EP | claimed |
| WO-2009127321-A1 | BENZOFURANE, BENZOTHIOPHENE, BENZOTHIAZOL DERIVATIVES AS FXR MODULATORS | MERCK PATENT GMBH, (DE) | 2009-10-22 | — | — | WO | claimed |
| EP-2262785-A1 | BENZOFURANE, BENZOTHIOPHENE, BENZOTHIAZOL DERIVATIVES AS FXR MODULATORS | Merck Patent GmbH (DE) | 2010-12-22 | — | — | EP | disclosed |
| WO-2009127321-A1 | BENZOFURANE, BENZOTHIOPHENE, BENZOTHIAZOL DERIVATIVES AS FXR MODULATORS | MERCK PATENT GMBH, (DE) | 2009-10-22 | — | — | WO | disclosed |