Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XIAP | P98170 | 1/20 | 0.58 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.58 |
| ▸ | CNR2 | P34972 | 1/20 | 0.57 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.53 |
| ▸ | HTR2A | P28223 | 4/20 | 0.52 |
| ▸ | HTR2C | P28335 | 4/20 | 0.52 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.51 |
| ▸ | RHOC | P08134 | 1/20 | 0.47 |
| ▸ | RHOA | P61586 | 1/20 | 0.47 |
| ▸ | HTR2B | P41595 | 2/20 | 0.44 |
| ▸ | DRD2 | P14416 | 3/20 | 0.43 |
| ▸ | DRD4 | P21917 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MITF | O75030 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | CASP2 | P42575 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL23207270 | 0.86 | XIAP (0.58) | XIAPBIRC2CNR2NOTUMHTR2A | |
| SCHEMBL2530222 | 0.82 | CNR2 (0.62) | XIAPBIRC2CNR2NOTUMHTR2A | |
| SCHEMBL19428179 | 0.82 | ROCK1 (0.61) | XIAPBIRC2CNR2NOTUMHTR2A | |
| SCHEMBL8902884 | 0.81 | XIAP (0.54) | XIAPBIRC2CNR2NOTUMHTR2A | |
| SCHEMBL16600192 | 0.81 | CNR2 (0.61) | XIAPBIRC2CNR2NOTUMHTR2A | |
| SCHEMBL30038606 | 0.81 | NOTUM (0.78) | XIAPBIRC2CNR2NOTUMHTR2A | |
| SCHEMBL11224906 | 0.80 | NOTUM (0.68) | XIAPBIRC2NOTUMHTR2AHTR2C | |
| SCHEMBL29522205 | 0.79 | XIAP (0.49) | XIAPBIRC2CNR2NOTUMHTR2A | |
| SCHEMBL19411000 | 0.79 | XIAP (0.49) | XIAPBIRC2CNR2NOTUMHTR2A | |
| SCHEMBL27436767 | 0.78 | XIAP (0.56) | XIAPBIRC2NOTUMHTR2AHTR2C |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-1997045408-A1 | HERBICIDAL INDOLINES | ZENECA LIMITED (GB) | 1997-12-04 | — | — | WO | disclosed |