Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
| ▸ | TTR | P02766 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | PPOX | P50336 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HPD | P32754 | 3/20 | 0.44 |
| ▸ | SLC9A1 | P19634 | 3/20 | 0.43 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.43 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8612597 | 0.91 | CFTR (0.48) | AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL28865598 | 0.84 | AKR1B1 (0.51) | AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL9018718 | 0.80 | SLC9A1 (0.41) | TTRMEN1PPOXKMT2ATDP1 | |
| SCHEMBL16031334 | 0.79 | TTR (0.64) | AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL9018707 | 0.78 | SLC9A1 (0.46) | SLC9A1ALDH1A1PLAU | |
| SCHEMBL9018662 | 0.78 | CES2 (0.62) | SLC9A1ALDH1A1PLAU | |
| SCHEMBL16620136 | 0.77 | TDP1 (0.47) | AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL9018705 | 0.77 | SLC9A1 (0.48) | SLC9A1PLAU | |
| Hydrochloric Acid SCHEMBL8393445 | 0.77 | SLC9A1 (0.45) | SLC9A1ALDH1A1PLAU | |
| Hydrochloric Acid SCHEMBL8393438 | 0.77 | CES2 (0.60) | SLC9A1ALDH1A1PLAU |
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-0743301-A2 | Benzoylguanidines containing fluorine | MERCK PATENT GmbH (DE) | 1996-11-20 | — | — | EP | disclosed |