Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 3/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 6/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28605768 | 0.84 | AKR1B1 (0.48) | AKR1B1BRD4CREBBP | |
| SCHEMBL8800184 | 0.80 | AKR1B1 (0.34) | AKR1B1OPRD1BRD4CREBBPOPRM1 | |
| SCHEMBL27869655 | 0.78 | OPRD1 (0.35) | AKR1B1OPRD1SIGMAR1HTR2CHTR2B | |
| SCHEMBL8800284 | 0.74 | OPRD1 (0.41) | AKR1B1OPRD1BRD4CREBBPSIGMAR1 | |
| SCHEMBL9055459 | 0.74 | OPRD1 (0.41) | AKR1B1OPRD1BRD4CREBBPSIGMAR1 | |
| SCHEMBL14530285 | 0.73 | OPRM1 (0.43) | AKR1B1SIGMAR1OPRM1 | |
| SCHEMBL23645205 | 0.73 | AKR1B1 (0.44) | AKR1B1BRD4CREBBPHTR2CHTR2B | |
| SCHEMBL30291436 | 0.73 | AKR1B1 (0.44) | AKR1B1BRD4CREBBPHTR2CHTR2B | |
| SCHEMBL6393621 | 0.72 | CHRNA7 (0.40) | OPRD1SIGMAR1HTR2CHTR2BOPRM1 | |
| SCHEMBL13305474 | 0.72 | CHRNA7 (0.40) | OPRD1SIGMAR1HTR2CHTR2BOPRM1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0799226-A1 | TETRACYCLIC SPIRO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1997-10-08 | — | — | EP | disclosed |
| EP-0787133-A1 | TRICYCLIC SPIRO COMPOUNDS PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1997-08-06 | — | — | EP | disclosed |