Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LGALS1 | P09382 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | CASP2 | P42575 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8439386 | 0.83 | TSHR (0.41) | TSHRNPSR1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL8443204 | 0.83 | TSHR (0.41) | TSHRNPSR1CYP1A2CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL8439381 | 0.83 | ALDH1A1 (0.41) | TSHRNPSR1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL8443922 | 0.82 | TSHR (0.50) | TSHRNPSR1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL8440609 | 0.81 | HPGD (0.46) | CYP1A2ALDH1A1LMNAHPGDMAPT | |
| SCHEMBL8441235 | 0.76 | TSHR (0.44) | TSHRNPSR1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL30931880 | 0.76 | MAPT (0.43) | ALDH1A1LMNAATMHPGDMAPT | |
| SCHEMBL21550893 | 0.76 | MAPT (0.43) | ALDH1A1LMNAATMHPGDMAPT | |
| SCHEMBL8443248 | 0.73 | ROCK2 (0.41) | TSHRCYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL8440378 | 0.72 | ALDH1A1 (0.60) | TSHRALDH1A1LMNAHPGDMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5968985-A | INHIBITORS OF SODIUM ION/HYDROGEN ION EXCHANGE IN CELLS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1999-10-19 | — | — | US | disclosed |
| EP-0773927-A2 | BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1997-05-21 | — | — | EP | disclosed |
| WO-1996004241-A2 | BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1996-02-15 | — | — | WO | disclosed |