Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.46 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | ACE | P12821 | 2/20 | 0.42 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.42 |
| ▸ | PRCP | P42785 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.41 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.40 |
| ▸ | FKBP1A | P62942 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9274408 | 1.00 | CHRM2 (0.46) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL8318035 | 0.88 | KMT2A (0.50) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL6668590 | 0.87 | CHRM2 (0.45) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL9200215 | 0.82 | RAB9A (0.55) | ACE2PRMT5WDR77HCRTR2RIPK1 | |
| SCHEMBL8157683 | 0.81 | PREP (0.53) | L3MBTL1ACE2KMT2ATSHR | |
| SCHEMBL29540420 | 0.81 | TMEM97 (0.56) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL22721972 | 0.81 | TMEM97 (0.56) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL9025393 | 0.78 | TACR1 (0.55) | PRCPKDM4ELMNA | |
| SCHEMBL9270977 | 0.78 | TACR1 (0.38) | HCRTR2RIPK1 | |
| SCHEMBL8125588 | 0.78 | RIPK1 (0.52) | L3MBTL1HCRTR2MEN1KMT2ARIPK1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1001780-A1 | USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING MANIA | MERCK SHARP & DOHME LTD. (GB) | 2000-05-24 | — | — | EP | disclosed |
| EP-0929554-A1 | SPIRO-AZACYCLIC DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 1999-07-21 | — | — | EP | disclosed |
| WO-1999007374-A1 | USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING AGGRESSIVE BEHAVIOUR | MERCK SHARP & DOHME LIMITED (GB) | 1999-02-18 | — | — | WO | disclosed |
| WO-1999007376-A1 | USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING MANIA | MERCK SHARP & DOHME LIMITED (GB) | 1999-02-18 | — | — | WO | disclosed |
| EP-0835253-A1 | PIPERIDINE AND MORPHOLINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 1998-04-15 | — | — | EP | disclosed |
| WO-1998013369-A1 | SPIRO-AZACYCLIC DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1998-04-02 | — | — | WO | disclosed |
| EP-0652866-A1 | AZACYCLIC COMPOUNDS | MERCK SHARP & DOHME LTD. (GB) | 1995-05-17 | — | — | EP | disclosed |
| EP-0636130-A1 | AZACYCLIC COMPOUNDS | MERCK SHARP & DOHME LTD. (GB) | 1995-02-01 | — | — | EP | disclosed |
| EP-0600952-A1 | AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. | MERCK SHARP & DOHME (GB) | 1994-06-15 | — | — | EP | disclosed |
| WO-1993004040-A1 | AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | MERCK SHARP & DOHME LIMITED (GB) | 1993-03-04 | — | — | WO | disclosed |