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 | |
|---|---|---|---|---|
| ▸ | KDR known ✓ | P35968 | 2/20 | 0.33 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 5/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8553708 | 0.94 | LMNA (0.35) | ENPP3CA9MAPTLMNASMN1; SMN2 | |
| SCHEMBL8547661 | 0.86 | ALDH1A1 (0.43) | ENPP3CA9MAPTSMN1; SMN2TP53 | |
| SCHEMBL8552079 | 0.85 | SMN1; SMN2 (0.34) | ENPP3CA9MAPTLMNASMN1; SMN2 | |
| SCHEMBL8550319 | 0.85 | KDM4E (0.37) | ENPP3CA9MAPTSMN1; SMN2NR1H2 | |
| Hydrochloric Acid SCHEMBL8548628 | 0.84 | KDM4E (0.37) | ENPP3CA9MAPTSMN1; SMN2NR1H2 | |
| SCHEMBL8553998 | 0.80 | KDR (0.37) | ENPP3CA9MAPTLMNASMN1; SMN2 | |
| SCHEMBL8546406 | 0.78 | SMN1; SMN2 (0.36) | ENPP3MAPTLMNASMN1; SMN2KDR | |
| SCHEMBL8551154 | 0.77 | CA9 (0.33) | ENPP3CA9MAPTLMNASMN1; SMN2 | |
| SCHEMBL8551488 | 0.74 | ENPP3 (0.40) | ENPP3CA9MAPTKDR | |
| Hydrochloric Acid SCHEMBL8547889 | 0.73 | ENPP3 (0.40) | ENPP3CA9MAPTKDR |
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-0825187-A1 | Condensed pyridazinyl guanidines, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-02-25 | — | — | EP | disclosed |