Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.49 |
| ▸ | MAPT | P10636 | 5/20 | 0.49 |
| ▸ | HPGD | P15428 | 4/20 | 0.49 |
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.43 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5766087 | 0.77 | KDM4E (0.42) | ALDH1A1KDM4EMAPTHPGDNPC1 | |
| SCHEMBL30503124 | 0.77 | ALDH1A1 (0.59) | ALDH1A1KDM4EMAPTHPGDNPC1 | |
| SCHEMBL4567366 | 0.77 | ALDH1A1 (0.59) | ALDH1A1KDM4EMAPTHPGDNPC1 | |
| SCHEMBL20673464 | 0.74 | MAPT (0.44) | ALDH1A1KDM4EMAPTHPGDNPC1 | |
| SCHEMBL24557000 | 0.73 | CYP3A4 (0.41) | ALDH1A1KDM4EMAPTHPGDNPC1 | |
| SCHEMBL6483920 | 0.73 | ALDH1A1 (0.44) | ALDH1A1MAPTHPGDNPC1RAB9A | |
| SCHEMBL7905037 | 0.73 | CYP3A4 (0.41) | ALDH1A1KDM4EMAPTHPGDNPC1 | |
| SCHEMBL29902457 | 0.73 | ALDH1A1 (0.44) | ALDH1A1MAPTHPGDNPC1RAB9A | |
| SCHEMBL10336360 | 0.72 | MAPT (0.42) | ALDH1A1KDM4EMAPTHPGDRAB9A | |
| SCHEMBL9300879 | 0.72 | TDP1 (0.45) | ALDH1A1KDM4EMAPTHPGDNPC1 |
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-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 |
| 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 |