Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | AKT2 | P31751 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | SGK1 | O00141 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Acetophenone SCHEMBL28919008 | 0.81 | KCNH2 (0.55) | MAPTSMN1; SMN2HPGDALDH1A1LMNA | |
| Acetophenone SCHEMBL29199279 | 0.80 | SMN1; SMN2 (0.43) | MAPTSMN1; SMN2HPGDALDH1A1LMNA | |
| Acetophenone SCHEMBL28144704 | 0.78 | MAPT (0.56) | MAPTSMN1; SMN2HPGDALDH1A1LMNA | |
| Acetophenone SCHEMBL28377473 | 0.76 | MAPT (0.61) | MAPTSMN1; SMN2HPGDALDH1A1LMNA | |
| Acetophenone SCHEMBL27600039 | 0.75 | MAPT (0.68) | MAPTSMN1; SMN2HPGDALDH1A1LMNA | |
| Acetophenone SCHEMBL11354178 | 0.75 | MAPT (0.68) | MAPTSMN1; SMN2HPGDALDH1A1LMNA | |
| Acetophenone SCHEMBL11042465 | 0.75 | MAPT (0.68) | MAPTSMN1; SMN2HPGDALDH1A1LMNA | |
| Acetophenone SCHEMBL28341606 | 0.74 | MAPT (0.64) | MAPTSMN1; SMN2HPGDALDH1A1LMNA | |
| Acetophenone SCHEMBL11469838 | 0.73 | MAPT (0.65) | MAPTSMN1; SMN2HPGDALDH1A1LMNA | |
| Acetophenone SCHEMBL11683047 | 0.73 | MAPT (0.65) | MAPTSMN1; SMN2HPGDALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-105164135-A | 4-substituted pyrrolo- and pyrazolo-diazepines | Bayer Pharma AG | 2015-12-16 | — | — | CN | disclosed |