Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 8/20 | 0.48 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.48 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5072892 | 0.76 | PKM (0.66) | KDM4EALDH1A1RXFP1PKMPOLB | |
| SCHEMBL12741415 | 0.74 | OPRL1 (0.53) | PKM | |
| SCHEMBL6949088 | 0.73 | PKM (0.54) | KDM4EALDH1A1RXFP1PKMPOLB | |
| Formic Acid SCHEMBL5082474 | 0.72 | PKM (0.60) | KDM4EALDH1A1RXFP1PKMPOLB | |
| SCHEMBL12462638 | 0.71 | CHRM1 (0.81) | CHRM1CHRM4CHRM5 | |
| SCHEMBL2147760 | 0.71 | CHRM1 (0.81) | CHRM1CHRM4CHRM5 | |
| SCHEMBL13745755 | 0.71 | PKM (0.59) | KDM4EALDH1A1RXFP1PKMCHRM1 | |
| SCHEMBL7074540 | 0.70 | MAPK1 (0.50) | KDM4EALDH1A1RXFP1PKMPOLB | |
| SCHEMBL7077685 | 0.70 | MAPK1 (0.50) | KDM4EALDH1A1RXFP1PKMPOLB | |
| SCHEMBL5364591 | 0.70 | TDP1 (0.62) | KDM4EALDH1A1RXFP1PKMPOLB |
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 |