Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19937281 | 0.91 | CYP2D6 (0.40) | CYP2D6LMNATSHRKMT2AALDH1A1 | |
| SCHEMBL19937397 | 0.85 | TSHR (0.57) | CYP2D6LMNATSHRKMT2APOLB | |
| SCHEMBL19937404 | 0.82 | TSHR (0.39) | CYP2D6LMNATSHRKMT2AALDH1A1 | |
| SCHEMBL13474862 | 0.81 | KMT2A (0.45) | CYP2D6LMNATSHRKMT2AALDH1A1 | |
| SCHEMBL19937214 | 0.77 | ALDH1A1 (0.33) | CYP2D6LMNATSHRKMT2AALDH1A1 | |
| SCHEMBL5347557 | 0.76 | KMT2A (0.41) | CYP2D6LMNATSHRKMT2AALDH1A1 | |
| SCHEMBL17267009 | 0.74 | TSHR (0.33) | TSHRKMT2AALDH1A1GAA | |
| SCHEMBL7481837 | 0.72 | KMT2A (0.46) | CYP2D6LMNATSHRKMT2AALDH1A1 | |
| SCHEMBL13474887 | 0.71 | KMT2A (0.44) | CYP2D6LMNATSHRKMT2AALDH1A1 | |
| SCHEMBL13412662 | 0.71 | TSHR (0.48) | CYP2D6LMNATSHRKMT2AALDH1A1 |
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 |