Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.43 |
| ▸ | TACR1 | P25103 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL6949097 | 0.84 | SIGMAR1 (0.49) | SIGMAR1CHRNB2CHRNA7CHRNA4ALDH1A1 | |
| Ethylene SCHEMBL6945882 | 0.77 | HTR2A (0.35) | SIGMAR1ALDH1A1CYP2D6CYP2C19KMT2A | |
| SCHEMBL21308106 | 0.76 | SIGMAR1 (0.44) | SIGMAR1CHRNB2CHRNA7CHRNA4ALDH1A1 | |
| SCHEMBL31045767 | 0.76 | SIGMAR1 (0.44) | SIGMAR1CHRNB2CHRNA7CHRNA4ALDH1A1 | |
| SCHEMBL17595348 | 0.76 | SIGMAR1 (0.47) | SIGMAR1ALDH1A1KMT2A | |
| Ethylene SCHEMBL6675160 | 0.67 | LMNA (0.44) | — | |
| SCHEMBL20483452 | 0.66 | CHRM2 (0.64) | SIGMAR1CHRNB2CHRNA7CHRNA4MEN1 | |
| SCHEMBL1631416 | 0.65 | KMT2A (0.46) | SIGMAR1ALDH1A1KMT2A | |
| SCHEMBL11776863 | 0.64 | ALDH1A1 (0.47) | MEN1ALDH1A1KMT2A | |
| Phenylacetaldehyde SCHEMBL1412189 | 0.64 | LMNA (0.41) | SIGMAR1MEN1KMT2A |
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 |