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 | |
|---|---|---|---|---|
| ▸ | ABL1 known ✓ | P00519 | 2/20 | 0.41 |
| ▸ | PDGFRB known ✓ | P09619 | 1/20 | 0.41 |
| ▸ | FLT1 known ✓ | P17948 | 1/20 | 0.41 |
| ▸ | ROCK1 known ✓ | Q13464 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 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 | |
|---|---|---|---|---|
| SCHEMBL10066171 | 0.93 | CHEK1 (0.45) | KDM4EALDH1A1NPC1RAB9AKMT2A | |
| SCHEMBL9570267 | 0.80 | CHEK1 (0.46) | KDM4EALDH1A1NPC1RAB9AABL1 | |
| SCHEMBL9597339 | 0.80 | MCHR1 (0.50) | KDM4EALDH1A1NPC1RAB9AABL1 | |
| SCHEMBL13384211 | 0.79 | ABL1 (0.45) | KDM4EALDH1A1NPC1RAB9AABL1 | |
| SCHEMBL22528422 | 0.76 | KDM4E (0.43) | KDM4EALDH1A1NPC1RAB9AGLA | |
| SCHEMBL29651927 | 0.74 | KDM4E (0.43) | KDM4EALDH1A1NPC1RAB9AGLA | |
| SCHEMBL31330284 | 0.73 | KDM4E (0.49) | KDM4EALDH1A1NPC1RAB9AKMT2A | |
| SCHEMBL22528961 | 0.73 | KDM4E (0.36) | KDM4EALDH1A1NPC1RAB9AMCHR1 | |
| SCHEMBL10053505 | 0.73 | MCHR1 (0.48) | KDM4EALDH1A1NPC1RAB9AKMT2A | |
| SCHEMBL29598781 | 0.72 | PARP10 (0.47) | KDM4EALDH1A1NPC1RAB9AABL1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2007514744-A | — | — | 2007-06-07 | — | — | JP | claimed |
| EP-1697360-A1 | NOVEL CRYSTALLINE FORMS OF 2, 3 DIMETHYL-8- (2, 6-DIMETHYLBENZYLAMINO) -N-HYDROXYETHYL-IMIDAZO 1, 2-A PYRIDINE-6-CARBOXAMIDE MESYLATE SALT. | AstraZeneca AB (SE) | 2006-09-06 | — | — | EP | claimed |
| WO-2005058895-A1 | NOVEL CRYSTALLINE FORMS OF 2, 3 DIMETHYL-8- (2, 6-DIMETHYLBENZYLAMINO) -N-HYDROXYETHYL-IMIDAZO [1, 2-A] PYRIDINE-6-CARBOXAMIDE MESYLATE SALT. | ASTRAZENECA AB (SE) | 2005-06-30 | — | — | WO | claimed |
| EP-1697360-A1 | NOVEL CRYSTALLINE FORMS OF 2, 3 DIMETHYL-8- (2, 6-DIMETHYLBENZYLAMINO) -N-HYDROXYETHYL-IMIDAZO 1, 2-A PYRIDINE-6-CARBOXAMIDE MESYLATE SALT. | AstraZeneca AB (SE) | 2006-09-06 | — | — | EP | disclosed |
| WO-2005058895-A1 | NOVEL CRYSTALLINE FORMS OF 2, 3 DIMETHYL-8- (2, 6-DIMETHYLBENZYLAMINO) -N-HYDROXYETHYL-IMIDAZO [1, 2-A] PYRIDINE-6-CARBOXAMIDE MESYLATE SALT. | ASTRAZENECA AB (SE) | 2005-06-30 | — | — | WO | disclosed |