Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.37 |
| ▸ | CCR5 | P51681 | 1/20 | 0.37 |
| ▸ | CCR8 | P51685 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 4/20 | 0.35 |
| ▸ | NOS2 | P35228 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.33 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL17002575 | 0.98 | CCR1 (0.38) | CCR1CCR5CCR8DRD1NOS3 | |
| Formamide SCHEMBL28001491 | 0.87 | DRD1 (0.38) | CCR1CCR5CCR8DRD1NOS3 | |
| SCHEMBL20347074 | 0.78 | TRPV4 (0.34) | DRD1NOS3NOS2CYP2A6PSMD14 | |
| SCHEMBL410301 | 0.77 | CCR1 (0.39) | CCR1CCR5CCR8NOS3NOS2 | |
| SCHEMBL11188610 | 0.77 | CCR1 (0.35) | CCR1CCR5CCR8DRD1NOS3 | |
| SCHEMBL2197499 | 0.77 | NOS3 (0.39) | NOS3NOS2CYP2A6 | |
| SCHEMBL28272763 | 0.77 | CYP2A6 (0.32) | NOS3NOS2CYP2A6 | |
| SCHEMBL16333992 | 0.77 | CCR1 (0.35) | CCR1CCR5CCR8DRD1NOS3 | |
| SCHEMBL30901326 | 0.77 | CCR1 (0.35) | CCR1CCR5CCR8DRD1NOS3 | |
| SCHEMBL17537336 | 0.77 | NOTUM (0.39) | NOS3NOS2CYP2A6MAOA |
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 |
|---|---|---|---|---|---|---|---|
| CN-112969687-A | Quinoline derivatives as alpha 4 beta 7 integrin inhibitors | 吉利德科学公司 | 2021-06-15 | — | — | CN | disclosed |
| CN-105061326-A | Pyridazinone derivatives as well as preparation method and application thereof | SICHUAN BAILI PHARMACEUTICAL CO LTD | 2015-11-18 | — | — | CN | disclosed |