Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.55 |
| ▸ | CCR5 | P51681 | 1/20 | 0.55 |
| ▸ | CCR8 | P51685 | 1/20 | 0.55 |
| ▸ | METAP2 | P50579 | 2/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | NOS2 | P35228 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 2/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16125569 | 0.89 | CCR1 (0.52) | CCR1CCR5CCR8METAP2CYP2A6 | |
| SCHEMBL29849929 | 0.79 | SPR (0.40) | KDM4ECYP1A2ALDH1A1 | |
| SCHEMBL13096285 | 0.74 | CCR1 (0.59) | CCR1CCR5CCR8METAP2CYP2A6 | |
| SCHEMBL181893 | 0.73 | CCR1 (1.00) | CCR1CCR5CCR8METAP2CYP2A6 | |
| SCHEMBL29397106 | 0.73 | CCR1 (1.00) | CCR1CCR5CCR8METAP2CYP2A6 | |
| SCHEMBL30403779 | 0.72 | KDM4E (0.50) | CCR1CCR5CCR8METAP2KDM4E | |
| SCHEMBL2476969 | 0.72 | KDM4E (0.50) | CCR1CCR5CCR8METAP2KDM4E | |
| SCHEMBL29434061 | 0.71 | CCR1 (0.55) | CCR1CCR5CCR8METAP2CYP2A6 | |
| SCHEMBL10000744 | 0.71 | CCR1 (0.55) | CCR1CCR5CCR8METAP2CYP2A6 | |
| Hydrochloric Acid SCHEMBL5549447 | 0.71 | CCR1 (0.94) | CCR1CCR5CCR8METAP2CYP2A6 |
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-4007575-A1 | 4-[5-[(RAC)-1-[5-(3-CHLOROPHENYL)-3-ISOXAZOLYL]ETHOXY]-4-METHYL-4H-1,2,4-TRIAZOL-3-YL]PYRIDINE FOR USE IN PREVENTION AND/OR TREATMENT OF SURMENAGE IN A MAMMAL | THULIN, Claes (SE) | 2022-06-08 | — | — | EP | disclosed |