Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | SCARB1 | Q8WTV0 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | GBA1 | P04062 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2384684 | 1.00 | SIGMAR1 (0.47) | SIGMAR1MEN1KMT2ASCARB1ALDH1A1 | |
| SCHEMBL2386357 | 1.00 | SIGMAR1 (0.47) | SIGMAR1MEN1KMT2ASCARB1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7409404 | 0.98 | MEN1 (0.47) | SIGMAR1MEN1KMT2ASCARB1ALDH1A1 | |
| SCHEMBL2349160 | 0.86 | SIGMAR1 (0.42) | SIGMAR1MEN1KMT2ASCARB1ALDH1A1 | |
| SCHEMBL3103478 | 0.80 | GLB1 (0.52) | SIGMAR1MEN1KMT2ASCARB1ALDH1A1 | |
| SCHEMBL2386353 | 0.78 | SIGMAR1 (0.47) | SIGMAR1MEN1KMT2ASCARB1ALDH1A1 | |
| SCHEMBL2387295 | 0.78 | SIGMAR1 (0.47) | SIGMAR1MEN1KMT2ASCARB1ALDH1A1 | |
| SCHEMBL10921394 | 0.78 | SIGMAR1 (0.47) | SIGMAR1MEN1KMT2ASCARB1ALDH1A1 | |
| SCHEMBL3106230 | 0.78 | SIGMAR1 (0.57) | SIGMAR1MEN1KMT2ASCARB1ALDH1A1 | |
| SCHEMBL3965353 | 0.78 | SIGMAR1 (0.47) | SIGMAR1MEN1KMT2ASCARB1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2215085-B1 | PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS | ASTRAZENECA AB (SE) | 2011-09-07 | — | — | EP | disclosed |