Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | USP1 | O94782 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.33 |
| ▸ | PDE5A | O76074 | 3/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 4/20 | 0.32 |
| ▸ | ACACB | O00763 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24095969 | 0.94 | P2RX3 (0.36) | USP1P2RX3 | |
| SCHEMBL24095552 | 0.94 | CACNA2D1 (0.34) | USP1CNR2P2RX3HRH3KDM4E | |
| SCHEMBL20656237 | 0.86 | P2RX3 (0.42) | P2RX3 | |
| SCHEMBL24095603 | 0.83 | FFAR4 (0.34) | USP1P2RX3MDM2FFAR4 | |
| SCHEMBL20652824 | 0.82 | ACACB (0.32) | PDE5AACACBKDM4ECYP1A2CYP2C9 | |
| SCHEMBL20656170 | 0.82 | P2RX3 (0.34) | USP1CNR2HTR2AHTR4PDE5A | |
| SCHEMBL20652818 | 0.81 | CNR2 (0.35) | USP1CNR2HTR2AHTR4PDE5A | |
| SCHEMBL20652800 | 0.77 | ENPP2 (0.32) | P2RX3ACACBKDM4ECYP1A2CYP2C9 | |
| SCHEMBL20652776 | 0.76 | P2RX3 (0.38) | P2RX3 | |
| SCHEMBL20652827 | 0.76 | RAB9A (0.41) | USP1PDE5AP2RX3KDM4ESMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3652176-B1 | SUBSTITUTED XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM INT (DE) | 2021-12-15 | — | — | EP | disclosed |
| WO-2019011802-A1 | NOVEL SUBSTITUTED XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2019-01-17 | — | — | WO | disclosed |