Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FABP4 | P15090 | 1/20 | 0.53 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.53 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | CAMK2A | Q9UQM7 | 3/20 | 0.47 |
| ▸ | CXCL8 | P10145 | 3/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.45 |
| ▸ | TTR | P02766 | 2/20 | 0.44 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.44 |
| ▸ | UGT1A9 | O60656 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.44 |
| ▸ | ALB | P02768 | 1/20 | 0.44 |
| ▸ | UGT1A6 | P19224 | 1/20 | 0.44 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.44 |
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 | 0.79 | KMT2A (0.47) | KMT2AADRA1A | |
| SCHEMBL7334130 | 0.78 | KMT2A (0.35) | FABP4FABP5PTGS2KMT2AKCNJ5 | |
| SCHEMBL6034976 | 0.78 | FABP4 (0.66) | FABP4FABP5PTGS2KMT2ACAMK2A | |
| SCHEMBL836780 | 0.76 | FABP4 (0.56) | FABP4FABP5PTGS2KMT2ACAMK2A | |
| SCHEMBL4978661 | 0.76 | PTGS2 (0.55) | FABP4FABP5PTGS2CAMK2ACXCL8 | |
| SCHEMBL7333637 | 0.75 | CXCL8 (0.55) | FABP4FABP5KMT2ACXCL8AKR1B1 | |
| SCHEMBL7338378 | 0.75 | GRIA1 (0.36) | KMT2A | |
| SCHEMBL2547244 | 0.71 | AKR1B1 (0.63) | FABP4FABP5PTGS2CAMK2ACXCL8 | |
| SCHEMBL10532535 | 0.71 | ALDH1A1 (0.43) | KMT2A | |
| SCHEMBL26162784 | 0.71 | KMT2A (0.37) | KMT2ATDP1 |
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 |