Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 9/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6944350 | 0.81 | MEN1 (0.43) | CHRM1KMT2ACHRM2CHRM4CHRM3 | |
| SCHEMBL6949080 | 0.81 | CHRM1 (0.39) | CHRM1KMT2AALDH1A1CHRM2CHRM4 | |
| SCHEMBL6945054 | 0.76 | CHRM1 (0.40) | CHRM1KMT2AALDH1A1CHRM2CHRM4 | |
| SCHEMBL6294159 | 0.70 | TP53 (0.36) | KMT2AALDH1A1MEN1 | |
| SCHEMBL3745563 | 0.68 | MAPK1 (0.48) | CHRM1KMT2AALDH1A1TSHRCHRM4 | |
| SCHEMBL15618675 | 0.68 | CHRM1 (0.42) | CHRM1CHRM2CHRM4CHRM3MAPK1 | |
| SCHEMBL1016674 | 0.68 | CHRM1 (0.42) | CHRM1CHRM2CHRM4CHRM3MAPK1 | |
| SCHEMBL2642072 | 0.66 | TP53 (0.39) | KMT2AALDH1A1MEN1 | |
| SCHEMBL10306775 | 0.65 | ALDH1A1 (0.36) | KMT2AALDH1A1MEN1 | |
| SCHEMBL14891097 | 0.65 | MEN1 (0.43) | KMT2AALDH1A1MEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1244450-A4 | 8-AZA-BICYCLO[3.2.1]OCTANE NMDA/NR2B ANTAGONISTS | MERCK & CO INC (US) | 2003-03-19 | — | — | EP | disclosed |
| EP-1244450-A1 | 8-AZA-BICYCLO[3.2.1]OCTANE NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2002-10-02 | — | — | EP | disclosed |
| US-6432976-B1 | ANALGESICS; SIDE EFFECT REDUCTION | MERCK & CO., INC. | 2002-08-13 | — | — | US | disclosed |
| WO-2001032179-A1 | 8-AZA-BICYCLO[3.2.1]OCTANE NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2001-05-10 | — | — | WO | disclosed |