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 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HKDC1 | Q2TB90 | 2/20 | 0.37 |
| ▸ | TERT | O14746 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | CRHBP | P24387 | 1/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.34 |
| ▸ | HK1 | P19367 | 1/20 | 0.34 |
| ▸ | RAD52 | P43351 | 1/20 | 0.34 |
| ▸ | RRM1 | P23921 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8797433 | 0.84 | TDP1 (0.34) | KDM4EALDH1A1SMN1; SMN2LMNAGAA | |
| SCHEMBL5178713 | 0.82 | KDM4E (0.37) | KDM4EALDH1A1SMN1; SMN2HPGDPKM | |
| SCHEMBL159888 | 0.79 | ALDH1A1 (0.53) | KDM4EALDH1A1SMN1; SMN2HPGDPKM | |
| SCHEMBL8007151 | 0.76 | MAPT (0.44) | KDM4EALDH1A1SMN1; SMN2PKMHKDC1 | |
| SCHEMBL5159327 | 0.74 | KDM4E (0.42) | KDM4EALDH1A1SMN1; SMN2HPGDPKM | |
| SCHEMBL6354061 | 0.73 | ALDH1A1 (0.42) | KDM4EALDH1A1SMN1; SMN2HPGDHKDC1 | |
| SCHEMBL2335965 | 0.72 | KDM4E (0.39) | KDM4EALDH1A1SMN1; SMN2HPGDPKM | |
| SCHEMBL1001565 | 0.71 | KDM4E (0.46) | KDM4EALDH1A1SMN1; SMN2HPGDPKM | |
| SCHEMBL7781063 | 0.70 | MAPT (0.41) | KDM4EALDH1A1SMN1; SMN2HPGDPKM | |
| SCHEMBL3324354 | 0.70 | CYP2C9 (0.42) | KDM4EALDH1A1SMN1; SMN2HPGDPKM |
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 |