Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XIAP | P98170 | 2/20 | 0.56 |
| ▸ | BIRC2 | Q13490 | 2/20 | 0.56 |
| ▸ | CASP2 | P42575 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 3/20 | 0.46 |
| ▸ | DRD4 | P21917 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL18763042 | 0.88 | SLC22A12 (0.58) | XIAPBIRC2CASP2MAPTNPC1 | |
| SCHEMBL11224906 | 0.83 | NOTUM (0.68) | XIAPBIRC2CASP2MAPTHTR2A | |
| SCHEMBL17494980 | 0.81 | XIAP (0.51) | XIAPBIRC2MAPTNPC1RAB9A | |
| SCHEMBL4543419 | 0.80 | NOTUM (0.67) | XIAPBIRC2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2675861 | 0.79 | PDK1 (0.56) | CASP2MAPTNPC1LMNASLC22A12 | |
| SCHEMBL30911998 | 0.79 | NOTUM (0.53) | XIAPBIRC2MAPTNPC1RAB9A | |
| SCHEMBL20612406 | 0.79 | XIAP (0.66) | XIAPBIRC2MAPTDRD2DRD4 | |
| SCHEMBL30912021 | 0.79 | MAPT (0.52) | XIAPBIRC2MAPTNPC1RAB9A | |
| SCHEMBL8893534 | 0.78 | XIAP (0.58) | XIAPBIRC2CASP2MAPTNPC1 | |
| SCHEMBL27165463 | 0.78 | BIRC2 (0.60) | XIAPBIRC2CASP2MAPTNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024133499-A1 | GLYCINE DERIVATIVES WITH P2X4 RECEPTOR-BLOCKING ACTIVITY AS DIAGNOSTICS AND FOR THE TREATMENT OF PAIN, INFLAMMATION, CANCER, AND OTHER P2X4 RECEPTOR-RELATED DISEASES | RHEINISCHE-FRIEDRICH-WILHELMS-UNIVERSITÄT BONN (DE) | 2024-06-27 | — | — | WO | disclosed |