Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.41 |
| ▸ | MEN1 | O00255 | 6/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | DHODH | Q02127 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7835847 | 1.00 | PKM (0.48) | PKMALDH1A1NPSR1MAPTMAPK1 | |
| SCHEMBL12458210 | 0.85 | NPC1 (0.40) | ALDH1A1MAPTHTTCYP1A2CYP2D6 | |
| SCHEMBL12646742 | 0.85 | ALDH1A1 (0.47) | PKMALDH1A1NPSR1MAPTMAPK1 | |
| SCHEMBL7836695 | 0.84 | ALDH1A1 (0.49) | PKMALDH1A1NPSR1MAPTMAPK1 | |
| SCHEMBL7836692 | 0.84 | ALDH1A1 (0.49) | PKMALDH1A1NPSR1MAPTMAPK1 | |
| SCHEMBL10979799 | 0.82 | ALDH1A1 (0.65) | PKMALDH1A1NPSR1MAPTMAPK1 | |
| SCHEMBL7823361 | 0.80 | ALDH1A1 (0.45) | PKMALDH1A1NPSR1MAPTMAPK1 | |
| SCHEMBL7823363 | 0.80 | ALDH1A1 (0.45) | PKMALDH1A1NPSR1MAPTMAPK1 | |
| SCHEMBL25691621 | 0.76 | CYP3A4 (0.46) | ALDH1A1NPSR1MAPTMAPK1CYP1A2 | |
| SCHEMBL18949530 | 0.76 | MEN1 (0.41) | ALDH1A1NPSR1MAPTMAPK1CYP1A2 |
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-0787726-B1 | NOVEL COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ANTITUMOR AGENT | DAINIPPON PHARMACEUTICAL CO (JP) | 2001-11-28 | — | — | EP | disclosed |
| US-5817669-A | A COMPOUND CONTAINING 1-(2-THIAZOLYL)-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 1998-10-06 | — | — | US | disclosed |
| EP-0787726-A1 | NOVEL COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ANTITUMOR AGENT | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 1997-08-06 | — | — | EP | disclosed |