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 | |
|---|---|---|---|---|
| ▸ | MCL1 known ✓ | Q07820 | 2/20 | 0.41 |
| ▸ | ABL1 known ✓ | P00519 | 1/20 | 0.38 |
| ▸ | BCR known ✓ | P11274 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | MMP2 | P08253 | 2/20 | 0.39 |
| ▸ | MMP9 | P14780 | 2/20 | 0.39 |
| ▸ | MMP12 | P39900 | 2/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL7770337 | 0.92 | ADORA3 (0.43) | ADORA3KMT2AHSP90AA1NPC1RAB9A | |
| SCHEMBL8596986 | 0.92 | ABL1 (0.44) | ADORA3PDE10AMCL1LTB4RKDM4E | |
| SCHEMBL7772129 | 0.84 | SYK (0.46) | ADORA3KDM4EHSP90AA1NPC1TP53 | |
| SCHEMBL8600138 | 0.83 | PDE10A (0.41) | ADORA3PDE10AMCL1LTB4RKDM4E | |
| SCHEMBL16675837 | 0.80 | NPC1 (0.49) | ADORA3PDE10AKDM4EALDH1A1KMT2A | |
| SCHEMBL7847605 | 0.79 | ABL1 (0.44) | ADORA3PDE10AMCL1ABL1ABCB1 | |
| SCHEMBL8935842 | 0.78 | ALDH1A1 (0.47) | ADORA3MCL1FYNLTB4RKDM4E | |
| SCHEMBL13997752 | 0.77 | MEN1 (0.44) | ADORA3MCL1LTB4RALDH1A1HPGD | |
| SCHEMBL7770338 | 0.77 | FFAR1 (0.43) | ADORA3PDE10ALTB4RHSP90AA1NPC1 | |
| SCHEMBL8765283 | 0.76 | MCL1 (0.45) | ADORA3MCL1CA9LTB4RKDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5539117-A | 2-acetyl-6-cyanopyridines and their use as intermediates in the synthesis of oligo-2,6-pyridines | GE HEALTHCARE AS (NO) | 1996-07-23 | — | — | US | disclosed |
| US-5350696-A | 2-acetyl-6-cyanopyridines and their use as intermediates in the synthesis of oligo-2,6-pyridines | STERLING WINTHROP, INC. (US) | 1994-09-27 | — | — | US | disclosed |