Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | PKM | P14618 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 6/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7836695 | 1.00 | ALDH1A1 (0.49) | ALDH1A1PKMMAPTHTTCYP1A2 | |
| SCHEMBL7823363 | 0.88 | ALDH1A1 (0.45) | ALDH1A1PKMMAPTHTTCYP1A2 | |
| SCHEMBL7823361 | 0.88 | ALDH1A1 (0.45) | ALDH1A1PKMMAPTHTTCYP1A2 | |
| SCHEMBL7835848 | 0.84 | PKM (0.48) | ALDH1A1PKMMAPTHTTCYP1A2 | |
| SCHEMBL7835847 | 0.84 | PKM (0.48) | ALDH1A1PKMMAPTHTTCYP1A2 | |
| SCHEMBL12646742 | 0.83 | ALDH1A1 (0.47) | ALDH1A1PKMMAPTHTTCYP1A2 | |
| SCHEMBL10979799 | 0.81 | ALDH1A1 (0.65) | ALDH1A1PKMMAPTHTTCYP1A2 | |
| SCHEMBL18739875 | 0.72 | ALDH1A1 (0.44) | ALDH1A1PKMMAPTHTTCYP1A2 | |
| SCHEMBL19984633 | 0.69 | ALDH1A1 (0.59) | ALDH1A1PKMMAPTHTTCYP1A2 | |
| SCHEMBL12458210 | 0.68 | NPC1 (0.40) | ALDH1A1MAPTHTTCYP1A2CYP2D6 |
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 |