Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 6/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 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 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | XBP1 | P17861 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | HTT | P42858 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | GRM8 | O00222 | 2/20 | 0.39 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
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 SCHEMBL8860036 | 0.89 | KMT2A (0.47) | KMT2AHPGDL3MBTL1MEN1LMNA | |
| Potassium Ion SCHEMBL8766024 | 0.84 | KMT2A (0.52) | KMT2AHPGDL3MBTL1MEN1LMNA | |
| Tetrabuthylammonium SCHEMBL8765979 | 0.81 | TSHR (0.38) | LMNAALDH1A1TSHR | |
| Tetrabuthylammonium SCHEMBL9154184 | 0.80 | KMT2A (0.53) | KMT2AHPGDMEN1LMNANPSR1 | |
| Tetrabuthylammonium SCHEMBL8871384 | 0.78 | TSHR (0.46) | KMT2AHPGDMEN1LMNANPSR1 | |
| Tetrabuthylammonium SCHEMBL9635257 | 0.76 | TSHR (0.47) | KMT2AHPGDMEN1LMNANPSR1 | |
| Tetrabuthylammonium SCHEMBL9154193 | 0.76 | KMT2A (0.51) | KMT2AHPGDMEN1LMNANPSR1 | |
| Tetrabuthylammonium SCHEMBL8871390 | 0.75 | TSHR (0.46) | KMT2AHPGDMEN1LMNANPSR1 | |
| Tetrabuthylammonium SCHEMBL28831934 | 0.75 | ALDH1A1 (0.65) | KMT2AHPGDMEN1LMNANPSR1 | |
| Tetrabuthylammonium SCHEMBL29130239 | 0.73 | ASAH2 (0.49) | KMT2AMEN1LMNAALDH1A1SMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-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 |