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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.55 |
| ▸ | HPGD | P15428 | 5/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.55 |
| ▸ | CLK2 | P49760 | 1/20 | 0.55 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.55 |
| ▸ | GSK3B | P49841 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | TOP2A | P11388 | 2/20 | 0.46 |
| ▸ | TOP2B | Q02880 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8628381 | 0.90 | KDM4E (0.47) | KDM4EHPGDALDH1A1KCNH2HSD17B10 | |
| SCHEMBL8625280 | 0.90 | KCNH2 (0.59) | KDM4EHPGDALDH1A1KCNH2HSD17B10 | |
| SCHEMBL8626418 | 0.87 | KCNH2 (0.56) | KDM4EHPGDALDH1A1KCNH2HSD17B10 | |
| SCHEMBL8648251 | 0.85 | KCNH2 (0.56) | KDM4EHPGDALDH1A1KCNH2HSD17B10 | |
| Hydrochloric Acid SCHEMBL8628362 | 0.84 | KCNH2 (0.58) | KDM4EHPGDALDH1A1KCNH2HSD17B10 | |
| SCHEMBL8628356 | 0.83 | KCNH2 (0.59) | KDM4EHPGDALDH1A1KCNH2HSD17B10 | |
| SCHEMBL8624450 | 0.83 | KDM4E (0.58) | KDM4EHPGDALDH1A1KCNH2HSD17B10 | |
| SCHEMBL27002955 | 0.82 | KDM4E (0.74) | KDM4EHPGDALDH1A1KCNH2HSD17B10 | |
| SCHEMBL8627131 | 0.80 | KCNH2 (0.57) | KDM4EHPGDALDH1A1KCNH2HSD17B10 | |
| Hydrochloric Acid SCHEMBL8624226 | 0.80 | KCNH2 (0.60) | KDM4EHPGDALDH1A1KCNH2HSD17B10 |
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-5776948-A | BACTERICIDE | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 1998-07-07 | — | — | US | disclosed |
| EP-0664288-A1 | FLUOROQUINOLINE DERIVATIVE | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 1995-07-26 | — | — | EP | disclosed |