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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.70 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
| ▸ | MAOA | P21397 | 1/20 | 0.60 |
| ▸ | CA1 | P00915 | 11/20 | 0.57 |
| ▸ | CA2 | P00918 | 11/20 | 0.57 |
| ▸ | CA12 | O43570 | 7/20 | 0.57 |
| ▸ | CA9 | Q16790 | 7/20 | 0.57 |
| ▸ | STK17B | O94768 | 1/20 | 0.47 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL569251 | 0.92 | TDP1 (0.74) | TDP1MEN1GAAKMT2AMAOA | |
| SCHEMBL3020258 | 0.92 | TDP1 (0.81) | TDP1MEN1GAAKMT2AMAOA | |
| SCHEMBL9417501 | 0.91 | TDP1 (0.80) | TDP1MEN1GAAKMT2AMAOA | |
| SCHEMBL136815 | 0.90 | TDP1 (0.85) | TDP1MEN1GAAKMT2AMAOA | |
| SCHEMBL134329 | 0.90 | TDP1 (0.85) | TDP1MEN1GAAKMT2AMAOA | |
| SCHEMBL3025184 | 0.90 | TDP1 (0.85) | TDP1MEN1GAAKMT2AMAOA | |
| SCHEMBL343629 | 0.90 | TDP1 (0.85) | TDP1MEN1GAAKMT2AMAOA | |
| SCHEMBL5162656 | 0.90 | TDP1 (0.85) | TDP1MEN1GAAKMT2AMAOA | |
| SCHEMBL137629 | 0.90 | TDP1 (0.85) | TDP1MEN1GAAKMT2AMAOA | |
| SCHEMBL343419 | 0.90 | TDP1 (0.85) | TDP1MEN1GAAKMT2AMAOA |
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 |
|---|---|---|---|---|---|---|---|
| CN-107922394-A | 3 tetrazole radical benzene, 1,2 disulfonic acid amide derivative as metal beta lactamase restrainer | 默沙东公司 | 2018-04-17 | — | — | CN | disclosed |