Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | F3 | P13726 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.34 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | MGAM | O43451 | 2/20 | 0.34 |
| ▸ | SI | P14410 | 2/20 | 0.34 |
| ▸ | MGAM2 | Q2M2H8 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.33 |
| ▸ | MIF | P14174 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11480324 | 1.00 | CYP1A2 (0.40) | CYP1A2F3HPGDLMNAALDH1A1 | |
| SCHEMBL2261719 | 0.98 | CYP1A2 (0.41) | CYP1A2F3HPGDLMNAALDH1A1 | |
| SCHEMBL2258288 | 0.98 | CYP1A2 (0.41) | CYP1A2F3HPGDLMNAALDH1A1 | |
| SCHEMBL27510350 | 0.92 | CYP1A2 (0.42) | CYP1A2F3HPGDLMNAALDH1A1 | |
| SCHEMBL11266128 | 0.83 | NPC1 (0.44) | HTTNPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL11266130 | 0.83 | NPC1 (0.44) | HTTNPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL1890697 | 0.79 | CYP1A2 (0.44) | CYP1A2HPGDLMNAALDH1A1HTT | |
| SCHEMBL1888469 | 0.79 | AKR1C3 (0.43) | ALDH1A1PIM1PIM2MAPTMAOB | |
| SCHEMBL1885998 | 0.79 | HSD11B1 (0.44) | HPGDALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1890698 | 0.79 | CYP1A2 (0.44) | CYP1A2HPGDLMNAALDH1A1HTT |
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 |
|---|---|---|---|---|---|---|---|
| US-4221788-A | 2-(Optionally-substituted)benzylperhydroazepines for analgesia and lowering blood pressure | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1980-09-09 | — | — | US | disclosed |