Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CA7 | P43166 | 3/20 | 0.35 |
| ▸ | CA9 | Q16790 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | ANPEP | P15144 | 2/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | CTSG | P08311 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8518211 | 0.80 | TSHR (0.44) | TRPA1ATMGABRA1GABRB2TSHR | |
| SCHEMBL29558466 | 0.78 | TRPA1 (0.50) | TRPA1ATMGABRA1GABRB2TSHR | |
| SCHEMBL30309279 | 0.76 | TRPA1 (0.52) | TRPA1ATMGABRA1GABRB2TSHR | |
| SCHEMBL184407 | 0.76 | TRPA1 (0.52) | TRPA1ATMGABRA1GABRB2TSHR | |
| Water SCHEMBL27928522 | 0.74 | TRPA1 (0.50) | TRPA1ATMGABRA1GABRB2TSHR | |
| SCHEMBL10766684 | 0.73 | TSHR (0.53) | TRPA1ATMGABRA1GABRB2TSHR | |
| SCHEMBL9197954 | 0.72 | TRPA1 (0.48) | TRPA1ATMGABRA1GABRB2TSHR | |
| SCHEMBL836116 | 0.72 | GABRA1 (0.52) | TRPA1ATMGABRA1GABRB2TSHR | |
| SCHEMBL13760524 | 0.71 | ESR1 (0.43) | GABRA1GABRB2TSHRCA1CA2 | |
| SCHEMBL16267753 | 0.71 | ADRB2 (0.41) | GABRA1GABRB2ALDH1A1ANPEPADRB1 |
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-7101878-B1 | Non-peptide GNRH agents, methods and intermediates for their preparation | AGOURON PHARMACEUTICALS, INC. (US) | 2006-09-05 | — | — | US | disclosed |