Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 8/20 | 0.51 |
| ▸ | ABHD6 | Q9BV23 | 2/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 7/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 6/20 | 0.34 |
| ▸ | RXRA | P19793 | 3/20 | 0.33 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5787404 | 0.88 | TACR1 (0.51) | TACR1ABHD6DAGLA | |
| SCHEMBL5784642 | 0.84 | TACR1 (0.46) | TACR1ABHD6NR1H2NR1H3RXRA | |
| SCHEMBL8125363 | 0.84 | TACR1 (0.46) | TACR1ABHD6NR1H2NR1H3RXRA | |
| SCHEMBL5783771 | 0.81 | NR1H2 (0.40) | NR1H2NR1H3RXRAHCRTR2 | |
| SCHEMBL5786306 | 0.78 | TACR1 (0.53) | TACR1ABHD6NR1H2NR1H3RXRA | |
| SCHEMBL5787186 | 0.78 | TACR1 (0.53) | TACR1ABHD6NR1H2NR1H3RXRA | |
| SCHEMBL8148108 | 0.77 | PTGER1 (0.40) | TACR1RXRA | |
| SCHEMBL5785810 | 0.75 | TACR1 (0.50) | TACR1 | |
| SCHEMBL7916867 | 0.74 | JAK3 (0.43) | TACR1NR1H2NR1H3RXRA | |
| SCHEMBL7922384 | 0.73 | TACR1 (0.35) | TACR1NR1H2NR1H3RXRA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0929554-B1 | SPIRO-AZACYCLIC DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME (GB) | 2006-03-15 | — | — | EP | disclosed |
| US-6046195-A | Spiro-azacyclic derivatives, their preparation and their use as tachykinin antagonists | MERCK SHARP & DOHME LTD. (GB) | 2000-04-04 | — | — | US | disclosed |