Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of Improsulfan. 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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | USP2 | O75604 | 2/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | MMP9 | P14780 | 1/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.61 |
| ▸ | SAT1 | P21673 | 1/20 | 0.36 |
| ▸ | PAOX | Q6QHF9 | 3/20 | 0.35 |
| ▸ | SLC2A1 | P11166 | 5/20 | 0.35 |
| ▸ | CA2 | P00918 | 6/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27700119 | 0.98 | TSHR (0.64) | TSHRALDH1A1USP2KDM4ELMNA | |
| Improsulfan SCHEMBL8954 | 0.95 | USP2 (0.67) | TSHRALDH1A1USP2KDM4ELMNA | |
| Improsulfan SCHEMBL10628525 | 0.93 | USP2 (0.64) | TSHRALDH1A1USP2KDM4ELMNA | |
| Improsulfan SCHEMBL844581 | 0.93 | USP2 (0.64) | TSHRALDH1A1USP2KDM4ELMNA | |
| Improsulfan SCHEMBL5886799 | 0.93 | TSHR (0.71) | TSHRALDH1A1USP2KDM4ELMNA | |
| Improsulfan SCHEMBL6228502 | 0.91 | KDM4E (0.56) | TSHRALDH1A1USP2KDM4ELMNA | |
| SCHEMBL14608855 | 0.88 | ALDH1A1 (0.52) | TSHRALDH1A1USP2KDM4ELMNA | |
| SCHEMBL5551062 | 0.88 | ALOX15 (0.52) | TSHRALDH1A1USP2KDM4ELMNA | |
| Improsulfan SCHEMBL28223296 | 0.85 | KDM4E (0.54) | TSHRALDH1A1USP2KDM4ELMNA | |
| Improsulfan SCHEMBL27839625 | 0.82 | TSHR (0.48) | TSHRALDH1A1USP2KDM4ELMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102272121-B | Polymorphic forms of 3- (1- {3- [5- (1-methyl-piperidin-4-ylmethoxy) -pyrimidin-2-yl ] -benzyl } -6-oxo-1, 6-dihydro-pyridazin-3-yl) -benzonitrile hydrochloride and processes for their preparation | MERCK PATENT GMBH | 2014-12-10 | — | — | CN | disclosed |
| CN-102272121-A | Novel polymorphic forms of 3- (1- {3- [5- (1-methyl-piperidin-4-ylmethoxy) -pyrimidin-2-yl ] -benzyl } -6-oxo-1, 6-dihydro-pyridazin-3-yl) -benzonitrile hydrochloride and processes for their preparation | — | 2011-12-07 | — | — | CN | disclosed |
| CN-101687838-A | Pyrrolo [3, 2-A ] pyridine derivatives that inhibit KSP kinesin activity | SCHERING CORP | 2010-03-31 | — | — | CN | disclosed |
| CN-1795175-A | Acetylene derivatives as inhibitors of histone deacetylase | AXYS PHARM INC (US) | 2006-06-28 | — | — | CN | disclosed |