Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 1/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.42 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | BACE1 | P56817 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.39 |
| ▸ | FBP1 | P09467 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30106726 | 0.82 | NT5E (0.45) | HTR3AHRH4PDE3BPDE3ABACE1 | |
| SCHEMBL22330373 | 0.82 | HTR3A (0.45) | HTR3AHRH4PDE3BPDE3ABACE1 | |
| SCHEMBL25962423 | 0.82 | NT5E (0.45) | HTR3AHRH4PDE3BPDE3ABACE1 | |
| SCHEMBL18463931 | 0.79 | HTR3A (0.43) | HTR3AHRH4PDE3BPDE3ABACE1 | |
| SCHEMBL26167592 | 0.79 | HTR3A (0.43) | HTR3AHRH4PDE3BPDE3ABACE1 | |
| SCHEMBL20580625 | 0.75 | HTR3A (0.40) | HTR3AHRH4PDE3BPDE3ABACE1 | |
| SCHEMBL22791436 | 0.75 | HTR3A (0.45) | HTR3AHRH4PDE3BPDE3ABACE1 | |
| SCHEMBL198060 | 0.74 | BACE1 (0.50) | HTR3AHRH4PDE3BPDE3ABACE1 | |
| SCHEMBL29447040 | 0.74 | BACE1 (0.50) | HTR3AHRH4PDE3BPDE3ABACE1 | |
| SCHEMBL9493144 | 0.73 | NT5E (0.51) | CYP3A4TSHRMAPK1LMNAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-4599345-A | BACTERICIDES, FUNGICIDES ANTIINFLAMMATORY | ALKALOIDE VEGYESZETI GYAR (HU) | 1986-07-08 | — | — | US | disclosed |