Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | IDO1 | P14902 | 3/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2655561 | 0.82 | CYP1A2 (0.59) | CYP2D6CYP1A2CYP3A4PRMT1TDP1 | |
| SCHEMBL6832085 | 0.82 | CYP3A4 (0.46) | CYP2D6CYP1A2CYP3A4PRMT1TDP1 | |
| SCHEMBL6429213 | 0.80 | CYP1A2 (0.47) | CYP2D6CYP1A2CYP3A4PRMT1TSHR | |
| SCHEMBL20425216 | 0.79 | IDO1 (0.47) | CYP2D6CYP1A2CYP3A4PRMT1IDO1 | |
| SCHEMBL13348421 | 0.79 | CYP2D6 (0.46) | CYP2D6CYP1A2CYP3A4PRMT1TDP1 | |
| SCHEMBL12879664 | 0.78 | CYP2D6 (0.68) | CYP2D6CYP1A2CYP3A4PRMT1IDO1 | |
| SCHEMBL2656196 | 0.77 | CYP3A4 (0.41) | CYP2D6CYP1A2CYP3A4PRMT1TDP1 | |
| SCHEMBL6447334 | 0.77 | CYP1A2 (0.43) | CYP2D6CYP1A2CYP3A4PRMT1TDP1 | |
| SCHEMBL1654642 | 0.76 | CYP1A2 (1.00) | CYP2D6CYP1A2CYP3A4PRMT1IDO1 | |
| SCHEMBL11188983 | 0.76 | CYP2D6 (0.66) | CYP2D6CYP1A2CYP3A4PRMT1IDO1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017136769-A1 | PEPTIDE DRUG CONJUGATES | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2017-08-10 | — | — | WO | disclosed |
| WO-2017136769-A1 | PEPTIDE DRUG CONJUGATES | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2017-08-10 | — | — | WO | disclosed |
| JP-2001335557-A | NEW METHOD FOR PRODUCING 3-MERCAPTO-3-METHYL-1-BUTANOL AND INTERMEDIATE THEREFOR | SANEI GEN FFI INC | 2001-12-04 | — | — | JP | disclosed |