Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 2/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3024077 | 0.77 | HRH3 (0.44) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL3933659 | 0.73 | ALDH1A1 (0.40) | CYP2C9ALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL1662135 | 0.71 | KDM4E (0.42) | ALDH1A1KDM4EMAPTTSHR | |
| SCHEMBL147803 | 0.70 | — | — | |
| SCHEMBL61982 | 0.70 | — | — | |
| SCHEMBL1302287 | 0.70 | HTT (0.56) | HTTALDH1A1KDM4EMAPK1TSHR | |
| SCHEMBL20470512 | 0.69 | HRH3 (0.61) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL13243056 | 0.69 | TSHR (0.49) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL28341397 | 0.68 | HTT (0.54) | HTTALDH1A1KDM4EMAPK1TSHR | |
| SCHEMBL12679260 | 0.68 | HRH3 (0.50) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 |
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-3740476-A1 | C5A RECEPTOR MODULATORS | Idorsia Pharmaceuticals Ltd (CH) | 2020-11-25 | — | — | EP | disclosed |
| WO-2019141803-A1 | C5A RECEPTOR MODULATORS | IDORSIA PHARMACEUTICALS LTD (CH) | 2019-07-25 | — | — | WO | disclosed |