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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 6/20 | 0.38 |
| ▸ | SLC6A4 known ✓ | P31645 | 6/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CNR1 | P21554 | 2/20 | 0.37 |
| ▸ | TACR2 | P21452 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6202589 | 0.96 | KMT2A (0.37) | KMT2ASLC6A2SLC6A4MEN1ALDH1A1 | |
| SCHEMBL6196495 | 0.96 | CYP3A4 (0.38) | KMT2ASLC6A2SLC6A4MEN1ALDH1A1 | |
| SCHEMBL6201331 | 0.95 | KMT2A (0.38) | KMT2ASLC6A2SLC6A4CNR1MEN1 | |
| SCHEMBL6199172 | 0.94 | SLC6A2 (0.42) | KMT2ASLC6A2SLC6A4CNR1TACR2 | |
| SCHEMBL6199803 | 0.90 | SLC6A2 (0.41) | KMT2ASLC6A2SLC6A4TACR2MEN1 | |
| SCHEMBL6201093 | 0.90 | SLC6A2 (0.41) | KMT2ASLC6A2SLC6A4TACR2MEN1 | |
| SCHEMBL6199797 | 0.89 | KMT2A (0.42) | KMT2ASLC6A2SLC6A4CNR1MEN1 | |
| SCHEMBL6197638 | 0.89 | RECQL (0.43) | — | |
| SCHEMBL6199169 | 0.87 | TACR2 (0.39) | KMT2ASLC6A2SLC6A4CNR1TACR2 | |
| SCHEMBL8113329 | 0.87 | SLC6A2 (0.38) | SLC6A2SLC6A4ALDH1A1MAPTPMP22 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1048658-B1 | ALICYCLIC ACYLATED HETEROCYCLIC DERIVATIVES | SANKYO CO (JP) | 2005-06-15 | — | — | EP | disclosed |
| US-6288059-B1 | ANTIASTHMATIC, ANTIALLERGEN AGENTS; URINARY INCONTINENCE; NATURAL KILLER CELL RECEPTOR AND TACHYKININ ANTAGONISTS | SANKYO COMPANY, LIMITED (JP) | 2001-09-11 | — | — | US | disclosed |
| CN-1284070-A | Alicyclic acylated heterocyclic derivatives | SANKYO CO (JP) | 2001-02-14 | — | — | CN | disclosed |
| EP-1048658-A1 | ALICYCLIC ACYLATED HETEROCYCLIC DERIVATIVES | Sankyo Company Limited (JP) | 2000-11-02 | — | — | EP | disclosed |