Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.44 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.44 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9673557 | 0.81 | AKR1B1 (0.45) | AKR1B1 | |
| SCHEMBL10970579 | 0.76 | ALOX5 (0.36) | AKR1B1 | |
| SCHEMBL10834099 | 0.76 | PDK2 (0.50) | TDP1AKR1B1MAPTPDK2 | |
| SCHEMBL7416528 | 0.75 | TSHR (0.49) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL5107203 | 0.73 | GSK3B (0.43) | AKR1B1 | |
| SCHEMBL10971658 | 0.73 | AKR1B1 (0.51) | TSHRTDP1AKR1B1HTR2AMAPT | |
| SCHEMBL10970570 | 0.72 | BACE1 (0.43) | TSHRTDP1AKR1B1HTR2AMAPT | |
| SCHEMBL30364417 | 0.71 | TSHR (0.49) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL9672258 | 0.70 | PDK2 (0.44) | TDP1PDK2 | |
| SCHEMBL22904131 | 0.70 | CYP19A1 (0.36) | AKR1B1PDK2 |
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-0456183-B1 | Spiro dibenzosuberane derivatives | SHIONOGI & CO (JP) | 1995-10-04 | — | — | EP | disclosed |
| EP-0456183-A2 | Spiro dibenzosuberane derivatives | SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) | 1991-11-13 | — | — | EP | disclosed |