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 | |
|---|---|---|---|---|
| ▸ | ROCK2 known ✓ | O75116 | 1/20 | 0.41 |
| ▸ | ROCK1 known ✓ | Q13464 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.45 |
| ▸ | STS | P08842 | 1/20 | 0.44 |
| ▸ | CTSL | P07711 | 2/20 | 0.44 |
| ▸ | FURIN | P09958 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | PLK4 | O00444 | 1/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | CHUK | O15111 | 1/20 | 0.41 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8445394 | 0.91 | ATM (0.58) | L3MBTL1ATMTDP1CA1CA2 | |
| SCHEMBL27334382 | 0.86 | ALDH1A1 (0.55) | L3MBTL1CA1CA2CA9ALDH1A1 | |
| SCHEMBL27480275 | 0.86 | ALDH1A1 (0.55) | L3MBTL1CA1CA2CA9ALDH1A1 | |
| SCHEMBL8440468 | 0.86 | FURIN (0.41) | CA1CA2FURINCA9ALDH1A1 | |
| SCHEMBL5173577 | 0.79 | SMN1; SMN2 (0.56) | TDP1ALDH1A1SMN1; SMN2GAAHSD17B10 | |
| Hydrochloric Acid SCHEMBL8815239 | 0.78 | SMN1; SMN2 (0.55) | TDP1ALDH1A1SMN1; SMN2GAAHSD17B10 | |
| SCHEMBL8503876 | 0.78 | NPSR1 (0.55) | ALDH1A1MAPTPTGS1GAA | |
| SCHEMBL8703819 | 0.78 | KAT6A (0.53) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL828586 | 0.78 | ALDH1A1 (0.64) | L3MBTL1TDP1CA1CA9ALDH1A1 | |
| SCHEMBL5175529 | 0.77 | HDAC8 (0.62) | ALDH1A1HDAC8 |
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 |