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 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.70 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.46 |
| ▸ | KLK1 | P06870 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | NSD2 | O96028 | 2/20 | 0.46 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.45 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL297224 | 0.84 | LOXL2 (1.00) | LOXL2CYP19A1MAPTCYP2A6CA2 | |
| Water SCHEMBL5709165 | 0.84 | LOXL2 (1.00) | LOXL2CYP19A1MAPTCYP2A6CA2 | |
| Ammonia Solution, Strong SCHEMBL20240894 | 0.82 | LOXL2 (0.95) | LOXL2CYP19A1MAPTCYP2A6CA2 | |
| Methane SCHEMBL28234604 | 0.82 | LOXL2 (0.95) | LOXL2CYP19A1MAPTCYP2A6CA2 | |
| Hydrochloric Acid SCHEMBL154002 | 0.82 | LOXL2 (0.95) | LOXL2CYP19A1MAPTCYP2A6CA2 | |
| Bromide SCHEMBL6436882 | 0.82 | LOXL2 (0.95) | LOXL2CYP19A1MAPTCYP2A6CA2 | |
| SCHEMBL7982533 | 0.80 | CYP2A6 (0.52) | LOXL2CYP19A1MAPTCYP2A6CA1 | |
| Hydrochloric Acid SCHEMBL7254279 | 0.80 | LOXL2 (0.91) | LOXL2CYP19A1MAPTCYP2A6CA2 | |
| SCHEMBL3742309 | 0.79 | MAPT (0.58) | LOXL2CYP19A1MAPTCYP2A6BCHE | |
| SCHEMBL15245752 | 0.78 | LOXL2 (0.86) | LOXL2CYP19A1MAPTCYP2A6CA1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101525339-A | Novel oxabispidine compounds and their use in the treatment of cardiac arrhythmias | ASTRAZENECA AB | 2009-09-09 | — | — | CN | disclosed |
| CN-1968956-A | Novel oxabispidine compounds and their use in the treatment of cardiac arrhythmias | ASTRAZENECA AB (SE) | 2007-05-23 | — | — | CN | disclosed |
| EP-1086074-B1 | NEW PROCESS | ASTRAZENECA AB (SE) | 2004-04-07 | — | — | EP | disclosed |
| US-6284913-B1 | Selective hydrogenation of a C3-C5 alkyl alchol | ASTRAZENECA AB (SE) | 2001-09-04 | — | — | US | disclosed |
| EP-1086074-A1 | NEW PROCESS | AstraZeneca AB (SE) | 2001-03-28 | — | — | EP | disclosed |
| WO-1999064391-A1 | NEW PROCESS | ASTRAZENECA AB (SE) | 1999-12-16 | — | — | WO | disclosed |