Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 5/20 | 0.58 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | CTSG | P08311 | 1/20 | 0.39 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.39 |
| ▸ | WDR5 | P61964 | 1/20 | 0.38 |
| ▸ | JUN | P05412 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | APAF1 | O14727 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.35 |
| ▸ | CCR2 | P41597 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9402512 | 0.84 | TACR1 (0.62) | TACR1ELANECTSGPRTN3JUN | |
| SCHEMBL2218688 | 0.67 | PPARG (0.52) | AR | |
| SCHEMBL7096623 | 0.66 | WDR5 (0.39) | TACR1WDR5 | |
| SCHEMBL4631237 | 0.65 | CYP2D6 (0.36) | TACR1KMT2A | |
| SCHEMBL2217887 | 0.61 | AR (0.55) | AR | |
| SCHEMBL8734091 | 0.61 | MGLL (0.52) | JUNNFKB1NFKB2RELACHRM5 | |
| SCHEMBL9402477 | 0.61 | TACR1 (0.51) | TACR1JUNNFKB1NFKB2RELA | |
| SCHEMBL12929225 | 0.59 | JUN (0.56) | JUNNFKB1NFKB2RELACHRM5 | |
| SCHEMBL8320094 | 0.59 | ELANE (0.73) | ELANECTSGPRTN3KMT2ANR3C2 | |
| SCHEMBL14731725 | 0.59 | TMEM97 (0.83) | TACR1KMT2AKCNH2TMEM97 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0545478-A1 | Heterocyclic compounds as tachykinin antagonists | MERCK SHARP & DOHME LTD. (GB) | 1993-06-09 | — | — | EP | claimed |
| US-5334606-A | Analgesics, antiinflammatory agents | MERCK SHARPE & DOHME LTD. (GB) | 1994-08-02 | — | — | US | disclosed |
| EP-0545478-A1 | Heterocyclic compounds as tachykinin antagonists | MERCK SHARP & DOHME LTD. (GB) | 1993-06-09 | — | — | EP | disclosed |