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 | |
|---|---|---|---|---|
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.45 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.49 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | DPP4 | P27487 | 4/20 | 0.46 |
| ▸ | TOP2A | P11388 | 7/20 | 0.45 |
| ▸ | TOP2B | Q02880 | 7/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | XBP1 | P17861 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1650228 | 0.93 | DPP4 (0.50) | KDM4ELMNAHSD17B10CYP1A2SMN1; SMN2 | |
| SCHEMBL29209428 | 0.81 | TOP2A (0.47) | KDM4ELMNAHSD17B10CYP1A2DPP4 | |
| SCHEMBL5653364 | 0.79 | KDM4E (0.44) | KDM4ELMNAHSD17B10CYP1A2SMN1; SMN2 | |
| SCHEMBL5653361 | 0.79 | KDM4E (0.44) | KDM4ELMNAHSD17B10CYP1A2SMN1; SMN2 | |
| SCHEMBL29209434 | 0.79 | KDM4E (0.44) | KDM4ELMNAHSD17B10CYP1A2DPP4 | |
| SCHEMBL5258473 | 0.78 | HTR3A (0.43) | KDM4ELMNAHSD17B10ABCC4CYP1A2 | |
| SCHEMBL10330767 | 0.74 | TOP2A (0.59) | KDM4ELMNAHSD17B10ABCC4CYP1A2 | |
| SCHEMBL5142702 | 0.74 | DPP4 (0.58) | KDM4ELMNAHSD17B10ABCC4CYP1A2 | |
| SCHEMBL9437304 | 0.74 | TOP2A (0.58) | KDM4ELMNAHSD17B10ABCC4CYP1A2 | |
| SCHEMBL9693117 | 0.74 | KDM4E (0.52) | KDM4ELMNAHSD17B10ABCC4CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1212321-A2 | INTERMEDIATES FOR THE PRODUCTION OF NAPHTHYRIDINE-3-CARBOXYLIC ACID DERIVATIVES | SB Pharmco Puerto Rico Inc (US) | 2002-06-12 | — | — | EP | disclosed |
| WO-2001017961-A2 | INTERMEDIATES FOR THE PRODUCTION OF NAPHTHYRIDINE-3-CARBOXYLIC ACID DERIVATIVES | SB PHARMCO PUERTO RICO INC (US) | 2001-03-15 | — | — | WO | disclosed |