Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.53 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 5/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 5/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CDC42 | P60953 | 1/20 | 0.40 |
| ▸ | RAC1 | P63000 | 1/20 | 0.40 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3311945 | 0.84 | ESR1 (0.41) | ABCB11TSHRCYP2C9 | |
| SCHEMBL19460546 | 0.81 | HDAC4 (0.42) | ABCB11PTGS1MAPT | |
| SCHEMBL8578308 | 0.77 | ABCB11 (0.46) | ABCB11TSHR | |
| SCHEMBL13731158 | 0.77 | ACHE (0.48) | TSHRMEN1KMT2AMAPT | |
| SCHEMBL10862893 | 0.77 | ADRB2 (0.40) | ABCB11AKR1C3AKR1C2TSHRMEN1 | |
| SCHEMBL2096235 | 0.75 | UGT2B7 (0.53) | ABCB11UGT2B7TSHRCYP1A2MEN1 | |
| SCHEMBL8580830 | 0.74 | TAAR1 (0.52) | LMNA | |
| SCHEMBL9695019 | 0.73 | KIF11 (0.41) | CYP1A2CYP2C9MEN1KMT2ALMNA | |
| SCHEMBL2096230 | 0.73 | UGT2B7 (0.52) | ABCB11UGT2B7TSHRCYP1A2MEN1 | |
| SCHEMBL9167387 | 0.73 | ALDH1A1 (0.53) | ABCB11UGT2B7AKR1C3AKR1C2TSHR |
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-4099741-A | — | — | None | — | — | JP | disclosed |
| JP-H0499741-A | PRODUCTION OF 2,6-DIHYDROXYNAPHTHALENE | MITSUBISHI PETROCHEM CO LTD | 1992-03-31 | — | — | JP | disclosed |