Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 3/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GBA1 | P04062 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11677239 | 0.81 | TSHR (0.44) | TSHRCNR2ADRA2AADRA2BADRA2C | |
| SCHEMBL10391078 | 0.80 | SCN1A (0.47) | TSHRMTNR1AMTNR1BADRA2AADRA2B | |
| SCHEMBL8959927 | 0.77 | TSHR (0.55) | TSHRCNR2MEN1KMT2ANR1H2 | |
| SCHEMBL12639963 | 0.77 | TSHR (0.50) | TSHRCNR2MEN1KMT2ANR1H2 | |
| SCHEMBL19533013 | 0.76 | MCHR1 (0.49) | MTNR1AMTNR1BADRA2AADRA2BADRA2C | |
| SCHEMBL11826491 | 0.76 | SCN1A (0.44) | TSHRCNR2MEN1KMT2AALDH1A1 | |
| SCHEMBL11671708 | 0.75 | TSHR (0.39) | TSHRCNR2MEN1KMT2ANR1H2 | |
| SCHEMBL3442158 | 0.75 | TSHR (0.48) | TSHRCNR2NISCHMEN1KMT2A | |
| SCHEMBL12930708 | 0.75 | TSHR (0.44) | TSHRCNR2MEN1KMT2ANR1H2 | |
| SCHEMBL11833911 | 0.74 | SCN1A (0.43) | TSHRCNR2MEN1KMT2AL3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4051117-A | Triazole-azo-phenyl cationic dyestuffs | BAYER AKTIENGESELLSCHAFT (DT) | 1977-09-27 | — | — | US | disclosed |
| US-4051084-A | BENZOTHIAZOLE | BAYER AKTIENGESELLSCHAFT (DT) | 1977-09-27 | — | — | US | disclosed |