Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.32 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.32 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.32 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.32 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MEP1B | Q16820 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | CASP6 | P55212 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ELAVL1 | Q15717 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1727434 | 0.97 | GAA (0.38) | GAAALDH1A1MEP1BL3MBTL1POLB | |
| SCHEMBL1180196 | 0.88 | GAA (0.41) | GAAALDH1A1MEP1BL3MBTL1POLB | |
| SCHEMBL30823619 | 0.88 | GAA (0.41) | GAAALDH1A1MEP1BL3MBTL1POLB | |
| SCHEMBL15311994 | 0.87 | CA2 (0.39) | GAAALDH1A1MEP1BL3MBTL1POLB | |
| SCHEMBL8470871 | 0.85 | CA2 (0.36) | GAAALDH1A1MEP1BL3MBTL1POLB | |
| Pyridine SCHEMBL2549494 | 0.85 | HSD17B10 (0.38) | GAAALDH1A1POLBKDM4ERECQL | |
| SCHEMBL30723203 | 0.84 | GAA (0.39) | GAAALDH1A1MEP1BL3MBTL1POLB | |
| SCHEMBL29975298 | 0.84 | GAA (0.39) | GAAALDH1A1MEP1BL3MBTL1POLB | |
| SCHEMBL5718625 | 0.84 | GAA (0.39) | GAAALDH1A1MEP1BL3MBTL1POLB | |
| SCHEMBL816601 | 0.84 | GAA (0.39) | GAAALDH1A1MEP1BL3MBTL1POLB |
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 |
|---|---|---|---|---|---|---|---|
| US-5874447-A | HIGH PURITY ORGANOSULFONATE SALT OF PAROXETINE WITH EXCELLENT STABILITY, SOLUBILITY; REACT WITH A BASE TO MAKE HIGH PURITY PAROXETINE, OR WITH A REAGENT TO MAKE THE HIGH PURITY SALT OF SAID REAGENT (EX: PAROXETINE MALEATE FROM MALEIC ACID) | SYNTHON B. V. (NL) | 1999-02-23 | — | — | US | disclosed |