Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15486282 | 0.82 | ALDH1A1 (0.36) | ALDH1A1 | |
| SCHEMBL15486284 | 0.80 | FFAR3 (0.33) | TSHRNFKB1CYP2C19 | |
| SCHEMBL13195574 | 0.80 | ALDH1A1 (0.39) | TSHRALDH1A1MAPTHSD17B10 | |
| SCHEMBL25382656 | 0.77 | ALDH1A1 (0.36) | TSHRMEN1ALDH1A1TP53CYP1A2 | |
| SCHEMBL19059384 | 0.77 | NAAA (0.36) | CYP2C19ALDH1A1CYP1A2HPGD | |
| SCHEMBL15490005 | 0.77 | NPSR1 (0.33) | — | |
| SCHEMBL15712632 | 0.76 | ALDH1A1 (0.39) | TSHRALDH1A1MAPTHSD17B10 | |
| SCHEMBL25382660 | 0.76 | FFAR3 (0.33) | TSHRCYP2C19MEN1ALDH1A1TP53 | |
| SCHEMBL20124731 | 0.74 | CYP4F2 (0.31) | TSHRMEN1ALDH1A1TP53CYP1A2 | |
| SCHEMBL7608822 | 0.74 | ALDH1A1 (0.37) | TSHRMEN1ALDH1A1TP53CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2693882-B1 | SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT | MERCK SHARP & DOHME (US) | 2017-06-28 | — | — | EP | disclosed |