Known targets — ChEMBL curated mechanism
CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA
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 | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | THPO | P40225 | 1/20 | 0.52 |
| ▸ | DNM1 | Q05193 | 5/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.50 |
| ▸ | RAD52 | P43351 | 2/20 | 0.50 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.46 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4757134 | 1.00 | HTT (0.58) | HTTKCNH2LMNACYP2D6CYP2C9 | |
| Mecetronium SCHEMBL331122 | 1.00 | HTT (0.58) | HTTKCNH2LMNACYP2D6CYP2C9 | |
| SCHEMBL4758094 | 1.00 | HTT (0.58) | HTTKCNH2LMNACYP2D6CYP2C9 | |
| SCHEMBL11720120 | 0.94 | KCNH2 (0.57) | HTTKCNH2LMNACYP2D6CYP2C9 | |
| Didecyldimethylammonium SCHEMBL330540 | 0.94 | KCNH2 (0.57) | HTTKCNH2LMNACYP2D6CYP2C9 | |
| SCHEMBL8986462 | 0.94 | KCNH2 (0.57) | HTTKCNH2LMNACYP2D6CYP2C9 | |
| SCHEMBL331519 | 0.94 | KCNH2 (0.57) | HTTKCNH2LMNACYP2D6CYP2C9 | |
| SCHEMBL17180042 | 0.94 | KCNH2 (0.57) | HTTKCNH2LMNACYP2D6CYP2C9 | |
| SCHEMBL28239915 | 0.91 | KCNH2 (0.55) | HTTKCNH2LMNACYP2D6CYP2C9 | |
| SCHEMBL27664750 | 0.91 | KCNH2 (0.55) | HTTKCNH2LMNACYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116113659-A | Non-isocyanate polyurethane elastomer and composition containing the same | 纳米技术有限责任公司(以生物科学博士名义) | 2023-05-12 | — | — | CN | disclosed |