Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.43 |
| ▸ | HTR3B | O95264 | 1/20 | 0.43 |
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.43 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | HTR1D | P28221 | 2/20 | 0.42 |
| ▸ | HTR1B | P28222 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4750860 | 0.81 | KDM4E (0.39) | ALDH1A1KDM4EHSD17B10TMEM97SIGMAR1 | |
| SCHEMBL87519 | 0.76 | CYP1A2 (0.57) | ALDH1A1KDM4EHSD17B10XDHGAA | |
| SCHEMBL27513258 | 0.75 | DRD2 (0.49) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL7426055 | 0.74 | KDM4E (0.51) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL11163211 | 0.74 | KDM4E (0.47) | ALDH1A1KDM4EHSD17B10DRD2DRD3 | |
| Cyclohexane SCHEMBL1538047 | 0.74 | CYP1A2 (0.55) | ALDH1A1KDM4EHSD17B10XDHGAA | |
| SCHEMBL250454 | 0.74 | CYP1A2 (0.55) | ALDH1A1KDM4EHSD17B10XDHGAA | |
| SCHEMBL982478 | 0.74 | CYP1A2 (0.55) | ALDH1A1KDM4EHSD17B10XDHGAA | |
| SCHEMBL3091854 | 0.74 | CYP1A2 (0.55) | ALDH1A1KDM4EHSD17B10XDHGAA | |
| SCHEMBL195800 | 0.74 | CYP1A2 (0.55) | ALDH1A1KDM4EHSD17B10XDHGAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005113527-A1 | TETRAHYDRONAPHTHYL- PIPERAZINES AS 5-HT1B ANTAGONISTS, INVERSE AGONISTS AND PARTIAL AGONISTS | PFIZER PRODUCTS INC. (US) | 2005-12-01 | — | — | WO | disclosed |