Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 5/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C1 | Q04828 | 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 | |
|---|---|---|---|---|
| SCHEMBL5152961 | 0.75 | CYP1A2 (0.45) | TSHRCYP1A2LMNACYP2D6SRC | |
| SCHEMBL8626395 | 0.73 | KMT2A (0.35) | TSHRCYP1A2LMNACYP2D6CYP2C19 | |
| SCHEMBL29141154 | 0.72 | CYP1A2 (0.42) | TSHRCYP1A2LMNACYP2D6SRC | |
| SCHEMBL10690917 | 0.72 | CYP1A2 (0.42) | TSHRCYP1A2LMNACYP2D6SRC | |
| SCHEMBL17293201 | 0.69 | CYP1A2 (0.39) | TSHRCYP1A2LMNACYP2D6SRC | |
| SCHEMBL9435848 | 0.69 | TSHR (0.44) | TSHRCYP1A2LMNACYP2D6SRC | |
| SCHEMBL29167283 | 0.69 | CYP1A2 (0.39) | TSHRCYP1A2LMNACYP2D6SRC | |
| SCHEMBL8525796 | 0.69 | TSHR (0.55) | TSHRLMNACYP2D6SRCMAPK1 | |
| SCHEMBL6533418 | 0.67 | CYP2C19 (0.44) | TSHRCYP1A2LMNACYP2D6SRC | |
| SCHEMBL8626391 | 0.66 | CYP2C19 (0.38) | TSHRCYP1A2LMNACYP2C19HPGD |
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 |
|---|---|---|---|---|---|---|---|
| JP-6340595-A | — | — | None | — | — | JP | disclosed |
| JP-H06340595-A | PREPARATION OF OPTICALLY PURE AMINOALCOHOL | ELF SANOFI | 1994-12-13 | — | — | JP | disclosed |