Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | SCN8A | Q9UQD0 | 4/20 | 0.38 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.38 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.38 |
| ▸ | SCN4A | P35499 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | SCN1A | P35498 | 2/20 | 0.37 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14956297 | 0.87 | KMT2A (0.47) | KDM4EMAPTL3MBTL1HTR1ALMNA | |
| SCHEMBL16280979 | 0.87 | SCN4A (0.47) | SCN8ASCN4ALMNACYP1A2SCN1A | |
| SCHEMBL7263548 | 0.81 | KDM4E (0.50) | KDM4EGAAMAPTRAB9AL3MBTL1 | |
| SCHEMBL8570866 | 0.80 | PTPN1 (0.41) | KDM4EMAPTL3MBTL1SCN8ASCN4A | |
| SCHEMBL10532535 | 0.79 | ALDH1A1 (0.43) | KDM4EMAPTL3MBTL1LMNACYP1A2 | |
| SCHEMBL28126748 | 0.79 | ALDH1A1 (0.39) | L3MBTL1SCN8ASCN4ALMNACYP1A2 | |
| SCHEMBL26162784 | 0.79 | KMT2A (0.37) | KDM4EMAPTL3MBTL1LMNACYP1A2 | |
| Hydrochloric Acid SCHEMBL10533956 | 0.77 | ALDH1A1 (0.42) | KDM4EGAAMAPTL3MBTL1POLB | |
| SCHEMBL21614297 | 0.77 | HTR2A (0.35) | KDM4EMAPTL3MBTL1SCN9AKMT2A | |
| SCHEMBL12129099 | 0.77 | KDM4E (0.62) | KDM4EGAAMAPTRAB9AL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6090805-A | Tocolytic oxytocin receptor antagonists | MERCK & CO., INC. (US) | 2000-07-18 | — | — | US | disclosed |
| US-5968938-A | Piperazine oxytocin receptor antagonists | MERCK & CO., INC. (US) | 1999-10-19 | — | — | US | disclosed |