Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.41 |
| ▸ | PIP4K2A | P48426 | 1/20 | 0.35 |
| ▸ | PIP4K2C | Q8TBX8 | 1/20 | 0.35 |
| ▸ | PRKCI | P41743 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | CTSD | P07339 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.32 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.32 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
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 SCHEMBL4123637 | 0.99 | CYP2A6 (0.40) | CYP2A6PIP4K2APIP4K2CPRKCICYP2C19 | |
| Hydrochloric Acid SCHEMBL4137846 | 0.91 | CYP2A6 (0.41) | CYP2A6PIP4K2APIP4K2CCYP2C9ADRB2 | |
| SCHEMBL3650985 | 0.89 | CYP2A6 (0.39) | CYP2A6PIP4K2APIP4K2CCYP2C19CYP2D6 | |
| Hydrochloric Acid SCHEMBL4277411 | 0.87 | CYP2A6 (0.37) | CYP2A6PIP4K2APIP4K2CSCN9ALIPG | |
| Hydrochloric Acid SCHEMBL3804181 | 0.87 | CYP2A6 (0.37) | CYP2A6PIP4K2APIP4K2CCA2LIPG | |
| Hydrochloric Acid SCHEMBL4125978 | 0.87 | CYP2A6 (0.37) | CYP2A6PIP4K2APIP4K2CGPBAR1 | |
| Hydrochloric Acid SCHEMBL3656151 | 0.86 | HTR6 (0.43) | CYP2A6 | |
| Hydrochloric Acid SCHEMBL4126306 | 0.85 | CYP2A6 (0.40) | CYP2A6PIP4K2APIP4K2CCYP2C19CTSD | |
| Hydrochloric Acid SCHEMBL4135898 | 0.85 | PIP4K2A (0.39) | CYP2A6PIP4K2APIP4K2CLIPG | |
| Hydrochloric Acid SCHEMBL3653183 | 0.85 | F2 (0.34) | CYP2A6GPBAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2190822-B1 | 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS | TAKEDA PHARMACEUTICAL (JP) | 2014-12-31 | — | — | EP | disclosed |