Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 9/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10814069 | 0.94 | MAOA (0.43) | CYP19A1CYP11B1CYP11B2KCNH2MAOA | |
| SCHEMBL2320538 | 0.86 | MAOA (0.40) | CYP19A1CYP11B1CYP11B2KCNH2MAOA | |
| SCHEMBL28111674 | 0.77 | CYP2A6 (0.42) | CYP19A1CYP11B1CYP11B2KCNH2MAOA | |
| SCHEMBL9068211 | 0.74 | — | — | |
| SCHEMBL1878862 | 0.74 | HTR3A (0.42) | CYP2A6 | |
| SCHEMBL6831259 | 0.74 | ESR2 (0.42) | — | |
| SCHEMBL779656 | 0.73 | ALDH1A1 (0.38) | KCNH2MAOAMAOBALDH1A1CYP2A6 | |
| SCHEMBL250894 | 0.71 | MAOA (0.50) | CYP19A1CYP11B1CYP11B2KCNH2MAOA | |
| SCHEMBL3706669 | 0.71 | KCNH2 (0.46) | CYP19A1CYP11B1CYP11B2KCNH2MAOA | |
| SCHEMBL28209800 | 0.70 | KCNH2 (0.40) | CYP19A1CYP11B1CYP11B2KCNH2MAOA |
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-1169312-A2 | GLUCOKINASE ACTIVATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-01-09 | — | — | EP | disclosed |
| WO-2000058293-A2 | GLUCOKINASE ACTIVATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2000-10-05 | — | — | WO | disclosed |