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 | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | BCAT1 | P54687 | 4/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | EYA3 | Q99504 | 2/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.34 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.34 |
| ▸ | CSNK2A2 | P19784 | 2/20 | 0.34 |
| ▸ | CSNK2B | P67870 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8802437 | 0.96 | CYP2C19 (0.43) | CYP2C19MEN1KMT2AHPGDTSHR | |
| SCHEMBL8443916 | 0.88 | KMT2A (0.37) | MEN1KMT2AHPGDTSHRMAPK10 | |
| SCHEMBL8444338 | 0.86 | MEN1 (0.36) | CYP2C19MEN1KMT2AHPGDTSHR | |
| SCHEMBL8803348 | 0.82 | KMT2A (0.38) | MEN1KMT2AHPGDTSHRMAPK10 | |
| SCHEMBL8442687 | 0.76 | CYP2C19 (0.50) | CYP2C19MEN1KMT2AALDH1A1CA2 | |
| SCHEMBL8441025 | 0.76 | GPR52 (0.40) | KDM4ENPC1RAB9ASLC9A1 | |
| SCHEMBL8440950 | 0.76 | SLC9A1 (0.40) | SLC9A1 | |
| SCHEMBL8444455 | 0.76 | DHODH (0.43) | CA2SLC9A1 | |
| SCHEMBL8440455 | 0.76 | TNKS (0.50) | CYP2C19MEN1KMT2ATSHRCA2 | |
| SCHEMBL8444435 | 0.76 | HTR2B (0.39) | CYP2C19MEN1KMT2AHPGDTSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5968985-A | INHIBITORS OF SODIUM ION/HYDROGEN ION EXCHANGE IN CELLS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1999-10-19 | — | — | US | disclosed |