Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CETP | P11597 | 1/20 | 0.42 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.41 |
| ▸ | GLS | O94925 | 2/20 | 0.41 |
| ▸ | HTR6 | P50406 | 3/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | FPR3 | P25089 | 1/20 | 0.39 |
| ▸ | FPR2 | P25090 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 2/20 | 0.38 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.38 |
| ▸ | CTSD | P07339 | 1/20 | 0.38 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.38 |
| ▸ | ITGA4 | P13612 | 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 | |
|---|---|---|---|---|
| SCHEMBL31227478 | 0.76 | USP30 (0.53) | CYP2C9ACKR3GLSHTR6FPR3 | |
| SCHEMBL31511651 | 0.75 | CYP2C9 (0.46) | CYP2C9ACKR3GLSHTR6FPR3 | |
| SCHEMBL5509547 | 0.74 | CYP2C9 (0.45) | CYP2C9ACKR3GLSHTR6FPR3 | |
| SCHEMBL10160566 | 0.73 | USP30 (0.49) | CYP2C9CETPACKR3HTR6FPR3 | |
| SCHEMBL5870833 | 0.70 | USP30 (0.51) | CYP2C9ACKR3GLSHTR6FPR3 | |
| SCHEMBL19408170 | 0.69 | GLS (0.55) | ACKR3GLSHTR6FPR3FPR2 | |
| SCHEMBL27406245 | 0.69 | ACKR3 (0.53) | CYP2C9ACKR3HTR6KMT2AKDM1A | |
| SCHEMBL30089037 | 0.69 | GAA (0.56) | ALDH1A1 | |
| SCHEMBL30899633 | 0.69 | GAA (0.56) | ALDH1A1 | |
| SCHEMBL30366200 | 0.69 | GAA (0.56) | ALDH1A1 |
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-1799676-A2 | NEW BICYCLIC ANTIBIOTICS | Actelion Pharmaceuticals Ltd. (CH) | 2007-06-27 | — | — | EP | disclosed |
| WO-2006032466-A2 | NEW BICYCLIC ANTIBIOTICS | ACTELION PHARMACEUTICALS LTD (CH) | 2006-03-30 | — | — | WO | disclosed |