Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | XBP1 | P17861 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8796711 | 0.90 | LMNA (0.49) | CYP1A2CYP3A4ALDH1A1MAPK1NPSR1 | |
| SCHEMBL7962367 | 0.87 | HPGD (0.55) | CYP1A2CYP3A4ALDH1A1MAPK1NPSR1 | |
| SCHEMBL7963533 | 0.79 | RAB9A (0.73) | ALDH1A1MAPK1NPSR1SMN1; SMN2NPC1 | |
| SCHEMBL8910825 | 0.77 | CYP1A2 (0.57) | CYP1A2CYP3A4ALDH1A1MAPK1NPSR1 | |
| SCHEMBL8911652 | 0.75 | CYP1A2 (0.44) | CYP1A2CYP3A4ALDH1A1MAPK1NPSR1 | |
| SCHEMBL13983356 | 0.75 | LMNA (0.54) | CYP1A2CYP3A4ALDH1A1MAPK1NPSR1 | |
| SCHEMBL10878625 | 0.71 | ALDH1A1 (0.40) | ALDH1A1MAPK1HSD17B10XBP1LMNA | |
| SCHEMBL5203823 | 0.67 | ALDH1A1 (1.00) | CYP1A2CYP3A4ALDH1A1MAPK1NPSR1 | |
| SCHEMBL29951621 | 0.66 | NPSR1 (0.61) | CYP1A2CYP3A4ALDH1A1MAPK1NPSR1 | |
| SCHEMBL14239801 | 0.66 | ALDH1A1 (0.35) | CYP1A2ALDH1A1L3MBTL1HTTHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-5679694-A | LOW TOXICITY AGAINST NORMAL CELL LINES | THE WELLCOME FOUNDATION LTD. (GB) | 1997-10-21 | — | — | US | disclosed |
| EP-0651750-A1 | TETRACYCLIC COMPOUNDS PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOUR AGENTS | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-05-10 | — | — | EP | disclosed |
| WO-1994002483-A1 | TETRACYCLIC COMPOUNDS PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOUR AGENTS | THE WELLCOME FOUNDATION LIMITED (GB) | 1994-02-03 | — | — | WO | disclosed |