Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CPN1 | P15169 | 1/20 | 0.34 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.33 |
| ▸ | ACER2 | Q5QJU3 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| Tetrabuthylammonium SCHEMBL8765993 | 0.87 | TSHR (0.38) | TSHRCA1CA2CA9CPN1 | |
| Tetrabuthylammonium SCHEMBL8860033 | 0.81 | KMT2A (0.45) | TSHRALDH1A1LMNA | |
| Tetrabuthylammonium SCHEMBL9062845 | 0.78 | LMNA (0.46) | TSHRCA1CA2CA9ALDH1A1 | |
| Tetrabuthylammonium SCHEMBL8870070 | 0.76 | TSHR (0.39) | TSHRCA1CA2CA9LMNA | |
| Tetrabuthylammonium SCHEMBL29130277 | 0.73 | KDM4E (0.42) | CA1CA2CA9ALDH1A1ASAH1 | |
| Tetrabuthylammonium SCHEMBL9062848 | 0.72 | TSHR (0.65) | TSHRCA1CA2CA9ALDH1A1 | |
| Tetrabuthylammonium SCHEMBL8870078 | 0.71 | TSHR (0.40) | TSHRCA1CA2CA9ALDH1A1 | |
| SCHEMBL6429607 | 0.71 | TSHR (0.49) | TSHRCA2CPN1CPB2GRM2 | |
| SCHEMBL21124173 | 0.70 | TSHR (0.44) | TSHRCA1CA2CA9CPN1 | |
| Tetrabuthylammonium SCHEMBL8860036 | 0.70 | KMT2A (0.47) | ALDH1A1LMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0659175-B1 | OPTICALLY ACTIVE ALKYLAMMONIUM (AMINO-3 PHENYL)-1 ETHANESULFONATE DERIVATIVES, PREPARATION AND USE THEREOF | RHONE POULENC RORER SA (FR) | 1997-08-13 | — | — | EP | claimed |
| US-5523469-A | REACTING ALKALI METAL SULFITE ON 1-(1-BROMOETHYL)-3-NITROBENZENE; CONVERSION TO POTASSIUM SALT; CONVERSION TO BENZYLQUINIUM SALT; THEN QUATERNIZATION | RHONE-POULENC RORER S.A. (FR) | 1996-06-04 | — | — | US | claimed |
| US-5663204-A | CHOLECYSTOKININ AND GASTRIN ANTAGONIST FOR APPETITE REGULATORS, GASTROINTESTINAL DISORDERS AND NERVOUS SYSTEM DISORDERS | RHONE-POULENC RORER S.A. (FR) | 1997-09-02 | — | — | US | disclosed |
| US-5610144-A | CHOLECYSTOKININ OR GASTRIN ANTAGONISTS; NERVOUS SYSTEM AND GASTROINTESTINAL DISORDERS | RHONE-POULENC RORER S.A. (FR) | 1997-03-11 | — | — | US | disclosed |
| US-5523469-A | REACTING ALKALI METAL SULFITE ON 1-(1-BROMOETHYL)-3-NITROBENZENE; CONVERSION TO POTASSIUM SALT; CONVERSION TO BENZYLQUINIUM SALT; THEN QUATERNIZATION | RHONE-POULENC RORER S.A. (FR) | 1996-06-04 | — | — | US | disclosed |