Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | FPR2 | P25090 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL16709179 | 0.81 | MAOA (0.42) | ALDH1A1KDM4ESMN1; SMN2POLBKDM1A | |
| SCHEMBL1049071 | 0.77 | POLB (0.40) | ALDH1A1SMN1; SMN2PKMBCHEPOLB | |
| SCHEMBL21803246 | 0.76 | KDM1A (0.39) | ALDH1A1KDM4EBCHEKDM1A | |
| SCHEMBL7534194 | 0.75 | MAOA (0.37) | ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1 | |
| SCHEMBL10602240 | 0.75 | GSK3B (0.41) | ALDH1A1KDM4EKDM1A | |
| SCHEMBL6233173 | 0.75 | GSK3B (0.41) | ALDH1A1KDM4EKDM1A | |
| SCHEMBL29221349 | 0.75 | MAOA (0.34) | ALDH1A1KDM4ESMN1; SMN2POLBKDM1A | |
| SCHEMBL16709169 | 0.74 | MAOA (0.38) | SMN1; SMN2POLBKDM1AMAOAMEN1 | |
| SCHEMBL6313787 | 0.74 | KDM1A (0.43) | ALDH1A1SMN1; SMN2PKMBCHEPOLB | |
| Iodide SCHEMBL7749127 | 0.74 | GSK3B (0.40) | ALDH1A1KDM4EKDM1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0772607-A1 | WATER-SOLUBLE METHINE COMPOUND AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OF CANCER COMPRISING THE SAME | FUJI PHOTO FILM CO., LTD. (JP) | 1997-05-14 | — | — | EP | 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 |