Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.37 |
| ▸ | CCR8 | P51685 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 2/20 | 0.33 |
| ▸ | CETP | P11597 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.30 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL625370 | 0.84 | GRIN2B (0.40) | KCNH2ALDH1A1HPGDSLC6A2SLC6A4 | |
| SCHEMBL29921250 | 0.84 | GRIN2B (0.40) | KCNH2ALDH1A1HPGDSLC6A2SLC6A4 | |
| SCHEMBL909335 | 0.77 | KDM4E (0.46) | KCNH2ALDH1A1HPGDSLC6A2SLC6A4 | |
| SCHEMBL29736919 | 0.77 | KDM4E (0.46) | KCNH2ALDH1A1HPGDSLC6A2SLC6A4 | |
| SCHEMBL8089375 | 0.77 | KCNH2 (0.39) | KCNH2CCR8ALDH1A1CETPSLC6A2 | |
| SCHEMBL22957673 | 0.77 | MCL1 (0.49) | KCNH2CCR8ALDH1A1SLC6A2SLC6A4 | |
| SCHEMBL2164875 | 0.75 | TSHR (0.39) | KCNH2CCR8ALDH1A1CETPTSHR | |
| SCHEMBL30881973 | 0.75 | TSHR (0.39) | KCNH2CCR8ALDH1A1CETPTSHR | |
| SCHEMBL9185044 | 0.73 | ALDH1A1 (0.37) | ALDH1A1HPGDARSLC6A4TSHR | |
| SCHEMBL18190449 | 0.72 | HDAC3 (0.36) | KCNH2ALDH1A1HPGDCETPSLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6090805-A | Tocolytic oxytocin receptor antagonists | MERCK & CO., INC. (US) | 2000-07-18 | — | — | US | disclosed |