Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 2/20 | 0.42 |
| ▸ | DCLRE1B | Q9H816 | 1/20 | 0.40 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.39 |
| ▸ | BAD | Q92934 | 2/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TTR | P02766 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | ALB | P02768 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 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 | |
|---|---|---|---|---|
| SCHEMBL8601172 | 0.83 | CLCN2 (0.45) | DHODHDCLRE1BBCL2L1BADHCAR2 | |
| SCHEMBL27586984 | 0.76 | BCAT2 (0.46) | DHODHKMT2AALDH1A1MAPTHPGD | |
| SCHEMBL8653763 | 0.74 | FOLH1 (0.45) | DCLRE1BKMT2AALDH1A1MAPTKDM4E | |
| SCHEMBL1074384 | 0.73 | FOLH1 (0.55) | ALDH1A1GAAMAPTHPGDKDM4E | |
| SCHEMBL10447451 | 0.73 | FOLH1 (0.45) | ALDH1A1GAAHPGDALBKDM4E | |
| SCHEMBL29008092 | 0.73 | HMGB1 (0.42) | KMT2AALDH1A1HPGDALBKDM4E | |
| SCHEMBL7342336 | 0.72 | ALDH1A1 (0.46) | HCAR2CYP1A2CYP2C19KMT2ATTR | |
| SCHEMBL2731264 | 0.71 | MRGPRX4 (0.46) | CYP1A2KMT2AALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL7565345 | 0.71 | G6PD (0.52) | ALDH1A1HMGB1MMP2 | |
| SCHEMBL29254314 | 0.69 | CLCN2 (0.54) | ALDH1A1MAPTKDM4EHMGB1FABP3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1242432-A1 | PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) | MERCK FROSST CANADA INC. (CA) | 2002-09-25 | — | — | EP | disclosed |
| WO-2001046205-A1 | PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) | MERCK FROSST CANADA & CO. (CA) | 2001-06-28 | — | — | WO | disclosed |