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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 known ✓ | P00734 | 2/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.39 |
| ▸ | F10 | P00742 | 2/20 | 0.39 |
| ▸ | F7 | P08709 | 1/20 | 0.39 |
| ▸ | F3 | P13726 | 1/20 | 0.39 |
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.36 |
| ▸ | TYK2 | P29597 | 1/20 | 0.36 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | FEN1 | P39748 | 1/20 | 0.35 |
| ▸ | TACR3 | P29371 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14876868 | 1.00 | DHODH (0.41) | DHODHADORA2AADORA1F2F10 | |
| Sulfuric Acid SCHEMBL244912 | 0.96 | F2 (0.41) | DHODHADORA2AADORA1F2F10 | |
| SCHEMBL243475 | 0.92 | F2 (0.43) | DHODHADORA2AADORA1F2F10 | |
| Hydrochloric Acid SCHEMBL244877 | 0.91 | F2 (0.42) | DHODHADORA2AADORA1F2F10 | |
| Phosphoric Acid SCHEMBL21748386 | 0.90 | F2 (0.41) | DHODHADORA2AADORA1F2F10 | |
| Fumaric Acid SCHEMBL248478 | 0.87 | DHODH (0.42) | DHODHADORA2AADORA1F2F10 | |
| Maleic Acid SCHEMBL248477 | 0.87 | DHODH (0.42) | DHODHADORA2AADORA1F2F10 | |
| SCHEMBL3391607 | 0.83 | TGFBR1 (0.46) | DHODHADORA2AADORA1F2F10 | |
| SCHEMBL21756155 | 0.81 | F2 (0.41) | DHODHADORA2AADORA1F2F10 | |
| SCHEMBL3393145 | 0.81 | IDO1 (0.38) | DHODHF2F10F7F3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2585461-B1 | 2,4-DIARYL-SUBSTITUTED [1,8]NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER | MERCK PATENT GMBH (DE) | 2020-02-26 | — | — | EP | disclosed |