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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8797230 | 0.83 | KDM4E (0.36) | KDM4ESMN1; SMN2MAPTHTTNPC1 | |
| SCHEMBL8007151 | 0.78 | MAPT (0.44) | KDM4ESMN1; SMN2MAPTHTTNPC1 | |
| SCHEMBL6354061 | 0.75 | ALDH1A1 (0.42) | KDM4ESMN1; SMN2MAPTHTTNPC1 | |
| SCHEMBL8861440 | 0.72 | MAPT (0.33) | KDM4ESMN1; SMN2MAPTHTTNPC1 | |
| SCHEMBL8797229 | 0.71 | KDM4E (0.33) | KDM4ESMN1; SMN2ALDH1A1PKMHPGD | |
| SCHEMBL8861452 | 0.69 | KDM4E (0.37) | KDM4ESMN1; SMN2MAPTHTTNPC1 | |
| SCHEMBL8861446 | 0.66 | ALDH1A1 (0.46) | KDM4ESMN1; SMN2MAPTHTTNPC1 | |
| SCHEMBL4120155 | 0.66 | MAPT (0.48) | KDM4ESMN1; SMN2MAPTHTTNPC1 | |
| SCHEMBL8797706 | 0.64 | ALDH1A1 (0.46) | KDM4ESMN1; SMN2MAPTHTTNPC1 | |
| SCHEMBL5159327 | 0.64 | KDM4E (0.42) | KDM4ESMN1; SMN2MAPTHTTNPC1 |
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-5599825-A | ANTITUMOR AGENTS | FUJI PHOTO FILM CO., LTD. (JP) | 1997-02-04 | — | — | US | disclosed |