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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.43 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.43 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.43 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.43 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.43 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.43 |
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 10/20 | 0.47 |
| ▸ | CA1 | P00915 | 9/20 | 0.47 |
| ▸ | CA9 | Q16790 | 5/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7904026 | 0.94 | CA2 (0.49) | CA2CA1CA9CA12CA4 | |
| SCHEMBL7914247 | 0.85 | POLB (0.46) | CA2CA1CA9CA12CA6 | |
| SCHEMBL7904032 | 0.84 | ADRA2C (0.62) | CA2CA1CA9CA12CA4 | |
| SCHEMBL7913948 | 0.83 | CA2 (0.47) | CA2CA1CA9CA12CA4 | |
| SCHEMBL7903977 | 0.81 | ADRA1A (0.56) | CA2CA1CA9CA12CA4 | |
| SCHEMBL7917803 | 0.77 | CA2 (0.41) | CA2CA1CA9CA12CA4 | |
| SCHEMBL7911341 | 0.76 | ADRA2C (0.56) | CA2CA1CA9CA12CA4 | |
| SCHEMBL7903986 | 0.76 | ADRA1A (0.60) | CA2CA1CA9CA12CA4 | |
| SCHEMBL12438379 | 0.71 | TP53 (0.41) | ADRB3ADRA2CADRA1AADRA1BKDM4E | |
| SCHEMBL7152846 | 0.71 | TP53 (0.41) | ADRB3ADRA2CADRA1AADRA1BKDM4E |
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-6214882-B1 | Benzenesulphonamide derivatives, preparation thereof and therapeutical uses thereof | SYNTHELABO (FR) | 2001-04-10 | — | — | US | disclosed |