Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.40 |
| ▸ | APAF1 | O14727 | 1/20 | 0.40 |
| ▸ | GRM7 | Q14831 | 2/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3633716 | 0.82 | CYP1A2 (0.47) | ALDH1A1PTGS2MAPTPOLBHPGD | |
| SCHEMBL8614640 | 0.82 | PTGS2 (0.46) | PTGS2MAPTFAAHAPAF1 | |
| SCHEMBL2443856 | 0.82 | MTNR1A (0.46) | PTGS2MTNR1AMTNR1BAPAF1GRM7 | |
| SCHEMBL508956 | 0.79 | PTGS2 (0.50) | PTGS2MTNR1AMTNR1BMAPTFAAH | |
| SCHEMBL27666438 | 0.79 | NPSR1 (0.50) | ALDH1A1PTGS2POLB | |
| SCHEMBL9074425 | 0.79 | ALDH1A1 (0.55) | ALDH1A1HPGD | |
| SCHEMBL3410010 | 0.78 | ALDH1A1 (0.50) | ALDH1A1PTGS2FAAHGRM7 | |
| SCHEMBL13389325 | 0.78 | ALDH1A1 (0.50) | ALDH1A1PTGS2FAAHGRM7 | |
| SCHEMBL10728103 | 0.78 | PTGS2 (0.48) | PTGS2FAAHAPAF1 | |
| SCHEMBL7641669 | 0.77 | ASAH1 (0.56) | ALDH1A1 |
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-4035395-A | Process for the preparation of ketones | BAYER AKTIENGESELLSCHAFT (DT) | 1977-07-12 | — | — | US | disclosed |