Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | FABP3 | P05413 | 1/20 | 0.37 |
| ▸ | FABP4 | P15090 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 2/20 | 0.37 |
| ▸ | AKT2 | P31751 | 2/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL29640023 | 1.00 | ALDH1A1 (0.40) | ALDH1A1HTTPTGS1PTGS2ADRA2A | |
| SCHEMBL12925884 | 0.86 | CYP2A6 (0.41) | ALDH1A1HTTPTGS1PTGS2ADRA2A | |
| SCHEMBL27930519 | 0.84 | FABP3 (0.41) | HTTPTGS1PTGS2ADRA2AADORA2A | |
| SCHEMBL30159162 | 0.83 | FABP3 (0.41) | ALDH1A1HTTPTGS1PTGS2ADRA2A | |
| SCHEMBL28999631 | 0.81 | ESR2 (0.48) | ALDH1A1HTTPTGS1PTGS2PPARA | |
| SCHEMBL7649808 | 0.79 | CYP1A2 (0.43) | ALDH1A1PTGS1PTGS2HSD17B10CYP2A6 | |
| SCHEMBL27397239 | 0.79 | SMN1; SMN2 (0.44) | ALDH1A1HTTPTGS1PTGS2ADRA2A | |
| SCHEMBL22391489 | 0.78 | MAPT (0.48) | ALDH1A1HTTPTGS1PTGS2HSD17B10 | |
| SCHEMBL28650275 | 0.77 | IKBKB (0.46) | ALDH1A1HSD17B10KMT2AMAPTCYP1A2 | |
| SCHEMBL23003867 | 0.77 | POLB (0.46) | ALDH1A1HTTPTGS1PTGS2ADRA2A |
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-106132414-A | Aryl lactams inhibitors of kinases | 百时美施贵宝公司 | 2016-11-16 | — | — | CN | disclosed |