Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9929155 | 0.92 | HTT (0.47) | HTTKDM4ENCOA3CYP3A4HPGD | |
| SCHEMBL30000050 | 0.85 | HTT (0.52) | HTTKDM4ENCOA3CYP3A4HPGD | |
| SCHEMBL2273686 | 0.85 | HTT (0.52) | HTTKDM4ENCOA3CYP3A4HPGD | |
| SCHEMBL6119233 | 0.83 | GRM1 (0.51) | KDM4EHPGDMEN1KMT2ATSHR | |
| SCHEMBL5459769 | 0.83 | TSHR (0.41) | HTTKDM4ENCOA3CYP3A4HPGD | |
| SCHEMBL17244908 | 0.83 | TSHR (0.51) | HTTKDM4EHPGDMEN1KMT2A | |
| SCHEMBL8257879 | 0.83 | TSHR (0.43) | HTTKDM4ESMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL471442 | 0.82 | HTT (0.54) | HTTKDM4ENCOA3CYP3A4HPGD | |
| SCHEMBL29495545 | 0.82 | HTT (0.54) | HTTKDM4ENCOA3CYP3A4HPGD | |
| SCHEMBL30007557 | 0.80 | HTT (0.52) | HTTKDM4ENCOA3CYP3A4HPGD |
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-4001336-A1 | POLYURETHANE, POLYURETHANE PRODUCTION METHOD, CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE | Shin-Etsu Chemical Co., Ltd. (JP) | 2022-05-25 | — | — | EP | disclosed |