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 | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | G6PD | P11413 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10598903 | 1.00 | KCNH2 (0.45) | KCNH2LMNACYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10503573 | 0.98 | LMNA (0.43) | KCNH2LMNACYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10599444 | 0.93 | CYP3A4 (0.43) | KCNH2LMNACYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11725693 | 0.92 | LMNA (0.50) | KCNH2LMNACYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10598909 | 0.87 | ALDH1A1 (0.41) | LMNACYP2D6CYP2C9CYP2C19HTT | |
| SCHEMBL10598268 | 0.87 | ALDH1A1 (0.41) | LMNACYP2D6CYP2C9CYP2C19HTT | |
| Choline SCHEMBL506429 | 0.86 | CYP3A4 (0.46) | KCNH2LMNACYP2D6CYP2C9CYP2C19 | |
| Bromide SCHEMBL8746093 | 0.86 | KCNH2 (0.51) | KCNH2LMNACYP2D6CYP2C9CYP2C19 | |
| SCHEMBL331065 | 0.85 | LMNA (0.59) | KCNH2LMNACYP2D6CYP2C9CYP2C19 | |
| SCHEMBL330681 | 0.85 | LMNA (0.59) | KCNH2LMNACYP2D6CYP2C9CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0225129-B1 | PHOSPHOLIPID DERIVATIVES, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1989-05-24 | — | — | EP | disclosed |
| US-4778912-A | ANTITUMOR AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1988-10-18 | — | — | US | disclosed |
| EP-0225129-A1 | Phospholipid derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1987-06-10 | — | — | EP | disclosed |