Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | LMNA | P02545 | 5/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 7/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | APAF1 | O14727 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL12864328 | 0.94 | ALDH1A1 (0.42) | ALDH1A1LMNAAKR1C3RAB9ASMN1; SMN2 | |
| SCHEMBL2605986 | 0.82 | PDK2 (0.41) | ALDH1A1LMNAAKR1C3SMN1; SMN2MAPT | |
| SCHEMBL12864332 | 0.82 | ESR1 (0.36) | ALDH1A1LMNARAB9ASMN1; SMN2NPC1 | |
| SCHEMBL2605969 | 0.71 | ALDH1A1 (0.43) | ALDH1A1LMNAAKR1C3RAB9ASMN1; SMN2 | |
| SCHEMBL4402334 | 0.70 | PDK2 (0.54) | ALDH1A1LMNAAKR1C3RAB9ASMN1; SMN2 | |
| SCHEMBL13538244 | 0.70 | ALDH1A1 (0.50) | ALDH1A1LMNAAKR1C3RAB9ASMN1; SMN2 | |
| SCHEMBL2606040 | 0.69 | NPC1 (0.41) | ALDH1A1LMNARAB9ASMN1; SMN2NPC1 | |
| SCHEMBL2605984 | 0.69 | ALDH1A1 (0.48) | ALDH1A1LMNAAKR1C3RAB9ASMN1; SMN2 | |
| SCHEMBL13351686 | 0.68 | CDC25B (0.47) | ALDH1A1LMNARAB9ASMN1; SMN2NPC1 | |
| SCHEMBL20198327 | 0.66 | PDK2 (0.52) | ALDH1A1LMNASRD5A2PDK2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009124627-A1 | FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES | MERCK PATENT GMBH (DE) | 2009-10-15 | — | — | WO | disclosed |