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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 7/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8861445 | 1.00 | ALDH1A1 (0.45) | ALDH1A1HPGDSMN1; SMN2KDM4EPKM | |
| SCHEMBL8797006 | 0.86 | MAPT (0.36) | ALDH1A1HPGDSMN1; SMN2KDM4EPKM | |
| Iodide SCHEMBL8796537 | 0.85 | MAPT (0.36) | ALDH1A1HPGDSMN1; SMN2KDM4EPKM | |
| SCHEMBL8797229 | 0.84 | KDM4E (0.33) | ALDH1A1HPGDSMN1; SMN2KDM4EPKM | |
| SCHEMBL8797706 | 0.77 | ALDH1A1 (0.46) | ALDH1A1HPGDSMN1; SMN2KDM4EPKM | |
| SCHEMBL316151 | 0.74 | ALDH1A1 (0.57) | ALDH1A1HPGDSMN1; SMN2KDM4EPKM | |
| SCHEMBL8797708 | 0.73 | KDM4E (0.36) | ALDH1A1HPGDSMN1; SMN2KDM4EPKM | |
| SCHEMBL8007089 | 0.70 | MAPT (0.55) | ALDH1A1HPGDSMN1; SMN2KDM4EPKM | |
| SCHEMBL2030271 | 0.70 | MAPT (0.54) | ALDH1A1HPGDSMN1; SMN2KDM4EPKM | |
| SCHEMBL31169576 | 0.70 | MAPT (0.54) | ALDH1A1HPGDSMN1; SMN2KDM4EPKM |
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 2 patents. 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 |
| WO-1996003393-A1 | WATER-SOLUBLE METHINE COMPOUND AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OF CANCER COMPRISING THE SAME | FUJI PHOTO FILM CO., LTD. (JP) | 1996-02-08 | — | — | WO | disclosed |