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 | |
|---|---|---|---|---|
| ▸ | F2 known ✓ | P00734 | 6/20 | 0.36 |
| ▸ | PIK3CD known ✓ | O00329 | 1/20 | 0.33 |
| ▸ | ROCK2 known ✓ | O75116 | 1/20 | 0.32 |
| ▸ | AOC2 | O75106 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 6/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 6/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 6/20 | 0.36 |
| ▸ | PRSS3 | P35030 | 6/20 | 0.36 |
| ▸ | POLB | P06746 | 4/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | APEX1 | P27695 | 3/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.34 |
| ▸ | RECQL | P46063 | 2/20 | 0.34 |
| ▸ | SCN2B | O60939 | 2/20 | 0.34 |
| ▸ | SCN1A | P35498 | 2/20 | 0.34 |
| ▸ | SCN1B | Q07699 | 2/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.34 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8700691 | 0.94 | AOC2 (0.40) | AOC2F2F10PRSS1PRSS2 | |
| Hydrochloric Acid SCHEMBL8700230 | 0.93 | AOC2 (0.39) | AOC2F2F10PRSS1PRSS2 | |
| SCHEMBL8704970 | 0.90 | AOC2 (0.35) | AOC2F2F10PRSS1PRSS2 | |
| Maleic Acid SCHEMBL8704977 | 0.88 | POLB (0.37) | AOC2F2F10PRSS1PRSS2 | |
| Fumaric Acid SCHEMBL8700198 | 0.88 | POLB (0.37) | AOC2F2F10PRSS1PRSS2 | |
| SCHEMBL8706283 | 0.84 | KDM4E (0.45) | AOC2F2F10PRSS1PRSS2 | |
| SCHEMBL8703858 | 0.84 | SLC9A1 (0.38) | — | |
| SCHEMBL7827018 | 0.81 | SLC9A1 (0.44) | — | |
| Guanidine SCHEMBL8700709 | 0.80 | POLB (0.34) | F2F10PRSS1PRSS2PRSS3 | |
| SCHEMBL8705529 | 0.79 | AOC2 (0.59) | AOC2POLBTDP1MEN1KMT2A |
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-5824691-A | CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1998-10-20 | — | — | US | disclosed |