Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | HTR2B | P41595 | 2/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 5/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | KHK | P50053 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11816194 | 0.79 | ALDH1A1 (0.45) | PDE10AHTR6USP2ALDH1A1HSD17B10 | |
| SCHEMBL16652332 | 0.73 | TAAR1 (0.64) | TAAR1HTR6ACHEUSP2ALDH1A1 | |
| SCHEMBL9272777 | 0.67 | HTR6 (0.50) | TAAR1HTR2AHTR2CHTR2BHTR6 | |
| SCHEMBL6164646 | 0.67 | HTR1A (0.60) | TAAR1HTR2AHTR2CHTR2BHTR6 | |
| Hydrochloric Acid SCHEMBL9654609 | 0.66 | HTR1A (0.59) | TAAR1HTR2AHTR2CHTR2BHTR6 | |
| SCHEMBL28839913 | 0.66 | TAAR1 (0.53) | TAAR1HTR6 | |
| SCHEMBL16652723 | 0.66 | TAAR1 (0.64) | TAAR1HTR6ACHEUSP2ALDH1A1 | |
| SCHEMBL3718101 | 0.66 | HTR7 (0.40) | HTR2AHTR2CHTR2BPDE10AHTR6 | |
| Hydrochloric Acid SCHEMBL3718488 | 0.65 | HTR7 (0.39) | HTR2AHTR2CHTR2BPDE10AHTR6 | |
| SCHEMBL712846 | 0.65 | TAAR1 (1.00) | TAAR1ACHEUSP2ALDH1A1CYP1A2 |
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-3987051-A | Method for producing 1-unsubstituted pyrazolo[3,4-b]pyridine ketones | E. R. SQUIBB & SONS, INC. (US) | 1976-10-19 | — | — | US | disclosed |