Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 4/20 | 0.36 |
| ▸ | DRD4 | P21917 | 2/20 | 0.36 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | REN | P00797 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9842463 | 0.97 | MEN1 (0.43) | MEN1KMT2ATSHRAPPDRD4 | |
| SCHEMBL9842343 | 0.94 | TSHR (0.43) | MEN1KMT2ATSHRAPPDRD4 | |
| SCHEMBL9842791 | 0.89 | ALDH1A1 (0.39) | MEN1KMT2ATSHRAPPDRD4 | |
| SCHEMBL9842223 | 0.84 | MEN1 (0.41) | MEN1KMT2ATSHRAPPCYP2C9 | |
| SCHEMBL9842701 | 0.83 | MEN1 (0.40) | MEN1KMT2ATSHRAPPCYP2C9 | |
| SCHEMBL9842790 | 0.82 | MEN1 (0.40) | MEN1KMT2ATSHRCYP2C9CYP3A4 | |
| SCHEMBL9842432 | 0.82 | MEN1 (0.40) | MEN1KMT2ATSHRCYP2C9CYP3A4 | |
| SCHEMBL9842458 | 0.82 | HDAC4 (0.41) | MEN1KMT2AHDAC4RARARARB | |
| SCHEMBL9843099 | 0.82 | MEN1 (0.38) | MEN1KMT2ATSHRAPPCYP2C9 | |
| SCHEMBL9842585 | 0.81 | HDAC4 (0.41) | MEN1KMT2AHDAC4RARARARB |
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-0413785-A1 | LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS. | MERCK PATENT GMBH (DE) | 1991-02-27 | — | — | EP | disclosed |
| WO-1990009420-A1 | LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-08-23 | — | — | WO | disclosed |