Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19937397 | 0.82 | TSHR (0.57) | TSHRKMT2ACYP2D6LMNAGAA | |
| SCHEMBL19937388 | 0.82 | CYP2D6 (0.41) | TSHRKMT2ACYP2D6LMNAALDH1A1 | |
| SCHEMBL19937214 | 0.81 | ALDH1A1 (0.33) | TSHRKMT2ACYP2D6LMNAALDH1A1 | |
| SCHEMBL19937281 | 0.81 | CYP2D6 (0.40) | TSHRKMT2ACYP2D6LMNAALDH1A1 | |
| SCHEMBL19937266 | 0.79 | ALDH1A1 (0.35) | KMT2AALDH1A1KDM4EGFERL3MBTL1 | |
| SCHEMBL19937302 | 0.77 | ALDH1A1 (0.36) | KMT2AALDH1A1KDM4EGFERL3MBTL1 | |
| SCHEMBL19937406 | 0.72 | ALDH1A1 (0.33) | KMT2AALDH1A1KDM4EGFERL3MBTL1 | |
| SCHEMBL19937582 | 0.72 | ALDH1A1 (0.33) | KMT2AALDH1A1KDM4EGFERL3MBTL1 | |
| SCHEMBL9329606 | 0.72 | CYP2D6 (0.39) | TSHRKMT2ACYP2D6LMNAALDH1A1 | |
| SCHEMBL19937218 | 0.72 | ALDH1A1 (0.32) | TSHRKMT2ALMNAALDH1A1KDM4E |
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-2514800-B2 | Compounds and liquid crystalline medium | MERCK PATENT GMBH (DE) | 2018-03-07 | — | — | EP | disclosed |