Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYSLTR2 | Q9NS75 | 3/20 | 0.44 |
| ▸ | CYSLTR1 | Q9Y271 | 3/20 | 0.44 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.41 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | TNF | P01375 | 2/20 | 0.40 |
| ▸ | TOP2A | P11388 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.39 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16631687 | 0.79 | NPC1 (0.39) | CYP1A2CYP3A4CYP2C19L3MBTL1CYP2D6 | |
| SCHEMBL13213589 | 0.77 | HTR7 (0.35) | CYP1A2CYP2C19CYP2D6SMN1; SMN2 | |
| SCHEMBL6631228 | 0.77 | CYSLTR2 (0.67) | CYSLTR2CYSLTR1PDE3BPDE3AP2RY12 | |
| SCHEMBL15485538 | 0.76 | NCF1 (0.39) | PDE3BPDE3AP2RY12CYP1A2CYP3A4 | |
| SCHEMBL16334701 | 0.76 | PDE4A (0.42) | CYSLTR2CYSLTR1BRD4TNFPTPN1 | |
| SCHEMBL29129061 | 0.75 | CYP4F2 (0.46) | CYSLTR2CYSLTR1TOP2APTPN1L3MBTL1 | |
| SCHEMBL9469608 | 0.75 | NPC1 (0.49) | CYSLTR2CYSLTR1BRD4PTPN1DHFR | |
| SCHEMBL29613406 | 0.75 | CYP4F2 (0.46) | CYSLTR2CYSLTR1TOP2APTPN1L3MBTL1 | |
| SCHEMBL24478464 | 0.75 | BRD4 (0.55) | CYSLTR2CYSLTR1PDE3BPDE3AP2RY12 | |
| SCHEMBL14570536 | 0.75 | S1PR4 (0.49) | CYSLTR2CYSLTR1PDE3BPDE3AP2RY12 |
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-3974413-A1 | ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2022-03-30 | — | — | EP | disclosed |