Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 19/20 | 0.73 |
| ▸ | HTR2A | P28223 | 14/20 | 0.73 |
| ▸ | HTR2C | P28335 | 14/20 | 0.73 |
| ▸ | HTR2B | P41595 | 14/20 | 0.73 |
| ▸ | DRD2 | P14416 | 13/20 | 0.71 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL7586310 | 0.86 | SIGMAR1 (0.58) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL6840920 | 0.85 | SIGMAR1 (0.68) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL6836356 | 0.84 | SIGMAR1 (1.00) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL6841309 | 0.83 | SIGMAR1 (1.00) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL6836333 | 0.82 | SIGMAR1 (0.88) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL6840845 | 0.82 | SIGMAR1 (0.66) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL14637745 | 0.82 | SIGMAR1 (0.70) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL14638454 | 0.81 | SIGMAR1 (0.59) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL6840744 | 0.81 | SIGMAR1 (1.00) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL18494326 | 0.81 | SIGMAR1 (0.74) | SIGMAR1HTR2AHTR2CHTR2BDRD2 |
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-1235808-A2 | TRICYCLIC ANALGESICS | WARNER-LAMBERT COMPANY (US) | 2002-09-04 | — | — | EP | disclosed |
| WO-2000075116-A2 | TRICYCLIC ANALGESICS | WARNER-LAMBERT COMPANY (US) | 2000-12-14 | — | — | WO | disclosed |
| US-5633247-A | ANTIARRTHYMIA AGENT | MERCK & CO., INC. (US) | 1997-05-27 | — | — | US | disclosed |
| EP-0431943-A2 | Nitrogen-containing spirocycles | MERCK & CO. INC. (US) | 1991-06-12 | — | — | EP | disclosed |