Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ADH1B | P00325 | 1/20 | 0.34 |
| ▸ | ADH1C | P00326 | 1/20 | 0.34 |
| ▸ | ADH1A | P07327 | 1/20 | 0.34 |
| ▸ | ADH7 | P40394 | 1/20 | 0.34 |
| ▸ | RYR2 | Q92736 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.32 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.32 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.32 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.31 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27281329 | 0.91 | TSHR (0.41) | TSHRALDH1A1ADH1BADH1CADH1A | |
| SCHEMBL20833142 | 0.77 | LMNA (0.30) | — | |
| SCHEMBL24820140 | 0.77 | — | — | |
| SCHEMBL23374694 | 0.76 | LMNA (0.33) | — | |
| SCHEMBL15598911 | 0.75 | — | — | |
| SCHEMBL24715612 | 0.74 | TSHR (0.41) | TSHRALDH1A1ADH1BADH1CADH1A | |
| SCHEMBL24709870 | 0.73 | TSHR (0.44) | TSHRALDH1A1ADH1BADH1CADH1A | |
| SCHEMBL21361490 | 0.73 | TSHR (0.44) | TSHRALDH1A1ADH1BADH1CADH1A | |
| Hydrogen Peroxide SCHEMBL138347 | 0.68 | TSHR (0.69) | TSHRALDH1A1ADH1BADH1CADH1A | |
| Hydrogen Peroxide SCHEMBL138349 | 0.68 | TSHR (0.69) | TSHRALDH1A1ADH1BADH1CADH1A |
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-7605176-B2 | β-ketoamide compounds with MCH antagonistic activity | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-10-20 | — | — | US | disclosed |