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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 10/20 | 0.47 |
| ▸ | HTR4 | Q13639 | 3/20 | 0.43 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.42 |
| ▸ | HPGDS | O60760 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3937594 | 0.93 | SMYD3 (0.52) | SMYD3HTR4ACKR3HPGDSEPHX1 | |
| Hydrochloric Acid SCHEMBL30675644 | 0.92 | SMYD3 (0.53) | SMYD3HTR4ACKR3HPGDSEPHX1 | |
| Hydrochloric Acid SCHEMBL30675640 | 0.92 | SMYD3 (0.53) | SMYD3HTR4ACKR3HPGDSEPHX1 | |
| Acetic Acid SCHEMBL5502431 | 0.90 | SMYD3 (0.48) | SMYD3HTR4ACKR3HPGDSEPHX1 | |
| SCHEMBL5592779 | 0.84 | MAPK8 (0.44) | SMYD3KMT2A | |
| SCHEMBL4283681 | 0.81 | HPGD (0.49) | KMT2A | |
| SCHEMBL4705235 | 0.81 | GRM5 (0.48) | KMT2A | |
| SCHEMBL4440234 | 0.80 | HPGD (0.51) | KMT2A | |
| SCHEMBL1876540 | 0.80 | HPGD (0.51) | KMT2A | |
| SCHEMBL30332358 | 0.79 | HSD11B1 (0.47) | SMYD3HPGDS |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2049106-A2 | PHARMACEUTICAL COMBINATIONS | Astex Therapeutics Limited (GB) | 2009-04-22 | — | — | EP | disclosed |
| EP-2046330-A2 | PHARMACEUTICAL COMBINATIONS | Astex Therapeutics Limited (GB) | 2009-04-15 | — | — | EP | disclosed |
| EP-2046327-A1 | MEDICAL USE OF CYCLIN DEPENDENT KINASES INHIBITORS | Astex Therapeutics Limited (GB) | 2009-04-15 | — | — | EP | disclosed |
| EP-2043635-A2 | PHARMACEUTICAL COMBINATIONS | Astex Therapeutics Limited (GB) | 2009-04-08 | — | — | EP | disclosed |
| EP-2026805-A1 | PHARMACEUTICAL COMBINATIONS OF DIAZOLE DERIVATIVES FOR CANCER TREATMENT | Astex Therapeutics Limited (GB) | 2009-02-25 | — | — | EP | disclosed |
| WO-2008009954-A1 | MEDICAL USE OF CYCLIN DEPENDENT KINASES INHIBITORS | ASTEX THERAPEUTICS LIMITED (GB) | 2008-01-24 | — | — | WO | disclosed |
| WO-2008007122-A2 | COMBINATIONS OF PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDKS AND GSK'S | ASTEX THERAPEUTICS LIMITED (GB) | 2008-01-17 | — | — | WO | disclosed |
| WO-2008007113-A2 | PHARMACEUTICAL COMBINATIONS | ASTEX THERAPEUTICS LIMITED (GB) | 2008-01-17 | — | — | WO | disclosed |
| WO-2008001101-A2 | PHARMACEUTICAL COMBINATIONS | ASTEX THERAPEUTICS LIMITED (GB) | 2008-01-03 | — | — | WO | disclosed |
| WO-2007129062-A1 | PHARMACEUTICAL COMBINATIONS OF DIAZOLE DERIVATIVES FOR CANCER TREATMENT | ASTEX THERAPEUTICS LIMITED (GB) | 2007-11-15 | — | — | WO | disclosed |
| EP-1846393-A2 | 4-(2,6-DICHLOROBENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID PIPERIDIN-4-YLAMIDE ACID ADDITION SALTS AS KINASE INHIBITORS | Astex Therapeutics Limited (GB) | 2007-10-24 | — | — | EP | disclosed |
| WO-2006077426-A2 | 4- (2, 6-DICHLOROBENZOYLAMINO) -lH-PYRAZOLE-3 -CARBOXYLIC ACID PIPERIDIN- 4 -YLAMID ACID ADDITION SALTS AS KINASE INHIBITORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-07-27 | — | — | WO | disclosed |