Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BIRC2 | Q13490 | 2/20 | 0.48 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.39 |
| ▸ | HTR3B | O95264 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.39 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.36 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.36 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.36 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9372774 | 0.99 | BIRC2 (0.48) | BIRC2NOTUMCNR2HTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL7423348 | 0.77 | NPC1 (0.51) | NOTUMKMT2A | |
| SCHEMBL7413299 | 0.76 | NOTUM (0.47) | BIRC2NOTUMCNR2SLC6A3SLC6A2 | |
| SCHEMBL7413293 | 0.76 | BCHE (0.54) | BIRC2NOTUMCNR2HTR3AKMT2A | |
| SCHEMBL7415219 | 0.70 | CHRNB2 (0.43) | NOTUMHTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL7478009 | 0.68 | MEN1 (0.43) | HTR3AKMT2ACYP3A4 | |
| Hydrochloric Acid SCHEMBL7419960 | 0.67 | HPGD (0.41) | KMT2A | |
| SCHEMBL6050108 | 0.67 | FDPS (0.44) | KMT2ACYP3A4SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL28008763 | 0.67 | NOTUM (0.63) | BIRC2NOTUMCNR2HTR3EHTR3B | |
| SCHEMBL9345089 | 0.67 | FDPS (0.46) | KMT2ACYP3A4CACNA2D1CACNA1BCACNB1 |
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-1993018027-A1 | NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS | SMITHKLINE BEECHAM PLC (GB) | 1993-09-16 | — | — | WO | disclosed |