Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of Isopropyl Alcohol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.76 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.76 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GMNN | O75496 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | NT5E | P21589 | 1/20 | 0.44 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | NAPRT | Q6XQN6 | 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 | |
|---|---|---|---|---|
| SCHEMBL16046756 | 0.93 | TSHR (0.73) | TSHRSMN1; SMN2POLBCYP2D6LMNA | |
| SCHEMBL5875401 | 0.91 | TSHR (0.70) | TSHRSMN1; SMN2POLBCYP2D6LMNA | |
| SCHEMBL28902110 | 0.91 | TSHR (0.70) | TSHRSMN1; SMN2POLBCYP2D6LMNA | |
| SCHEMBL16045501 | 0.89 | TSHR (0.67) | TSHRSMN1; SMN2POLBCYP2D6LMNA | |
| Lactic Acid SCHEMBL232168 | 0.89 | TSHR (0.67) | TSHRSMN1; SMN2POLBCYP2D6LMNA | |
| Isopropylamine SCHEMBL25405525 | 0.88 | TSHR (0.73) | TSHRSMN1; SMN2POLBCYP2D6LMNA | |
| SCHEMBL27872661 | 0.88 | TSHR (0.73) | TSHRSMN1; SMN2POLBCYP2D6LMNA | |
| Methyl Alcohol SCHEMBL2996522 | 0.87 | TSHR (0.89) | TSHRSMN1; SMN2POLBCYP2D6LMNA | |
| Ethane SCHEMBL4196548 | 0.87 | TSHR (0.89) | TSHRSMN1; SMN2POLBCYP2D6LMNA | |
| SCHEMBL597672 | 0.87 | TSHR (1.00) | TSHRSMN1; SMN2POLBCYP2D6LMNA |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106045974-B | A kind of bepotastine besilate at salt method | 杭州和泽医药科技有限公司 | 2019-09-13 | — | — | CN | claimed |
| CN-106459022-B | The preparation method of antifungal compound | 北卡罗来纳维亚梅特制药公司 | 2019-08-02 | — | — | CN | disclosed |
| CN-106459022-A | Antifungal compound process | 维亚梅特制药公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-100390170-C | 5- (4- (2- (N-methyl-N- (2-pyridyl) amino) ethoxy) benzyl) thiazolidine-2, 4-dione benzenesulfonate, process for its preparation, polymorphs I, II and III thereof and its use as pharmaceutical active ingredient | SMITHKLINE BEECHAM PLC (GB) | 2008-05-28 | — | — | CN | disclosed |
| EP-1448559-B1 | 5-(4-(2-(N-METHYL-N-(2-PYRIDYL)AMINO)ETHOXY)BENZYL)THIAZOLIDINE-2,4-DIONE BENZENESULFONATE; PROCESS FOR ITS PREPARATION; POLYMORPHS I, II AND III THEREOF; AND ITS USE AS PHARMACEUTICAL ACTIVE INGREDIENT | SMITHKLINE BEECHAM PLC (GB) | 2006-12-27 | — | — | EP | disclosed |
| CN-1612875-A | 5-(4-(2-(n-methyl-n-(2-pyridil) amino) ethoxy) benzyl) thiazolidine-2, 4-dione benzenesulfonate, process for its preparation, polymorphs i, ii and iii thereof, and its use as pharmaceutical active | SMITHKLINE BEECHAM PLC (GB) | 2005-05-04 | — | — | CN | disclosed |
| EP-1448559-A1 | 5-[4-[2-(N-METHYL-N-(2-PYRIDYL)AMINO)ETHOXY]BENZYL]THIAZOLIDINE-2,4-DIONE BENZENESULFONATE; PROCESS FOR ITS PREPARATION; POLYMORPHS I, II AND III THEREOF; AND ITS USE AS PHARMACEUTICAL ACTIVE INGREDIENT | SMITHKLINE BEECHAM PLC (GB) | 2004-08-25 | — | — | EP | disclosed |
| WO-2003045946-A1 | 5-(4-(2-(N-METHYL-N-(2-PYRIDIL) AMINO) ETHOXY) BENZYL) THIAZOLIDINE-2, 4-DIONE BENZENESULFONATE; PROCESS FOR ITS PREPARATION; POLYMORPHS I, II AND III THEREOF; AND ITS USE AS PHARMACEUTICAL ACTIVE INGREDIENT | SMITHKLINE BEECHAM P.L.C. (GB) | 2003-06-05 | — | — | WO | disclosed |