Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 5/20 | 0.37 |
| ▸ | NPC1 | O15118 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.36 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.36 |
| ▸ | PRKDC | P78527 | 1/20 | 0.35 |
| ▸ | ATR | Q13535 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TYK2 | P29597 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8910714 | 0.84 | ALDH1A1 (0.34) | HPGDNPC1SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL9057850 | 0.81 | MYC (0.36) | NR1H4 | |
| SCHEMBL8149797 | 0.78 | NPC1 (0.38) | HPGDRAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL8148024 | 0.74 | TDP2 (0.40) | NPC1MAPTKMT2AMEN1CYP1A2 | |
| SCHEMBL8153428 | 0.74 | TP53 (0.36) | RAB9ANPC1SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL8146061 | 0.73 | TP53 (0.37) | HPGDRAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL8141664 | 0.72 | MEN1 (0.33) | SMN1; SMN2MAPTKMT2AMEN1 | |
| SCHEMBL8150571 | 0.72 | HTT (0.32) | SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL8153452 | 0.72 | LMNA (0.32) | SMN1; SMN2MAPT | |
| SCHEMBL8910407 | 0.72 | BCHE (0.39) | KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5679694-A | LOW TOXICITY AGAINST NORMAL CELL LINES | THE WELLCOME FOUNDATION LTD. (GB) | 1997-10-21 | — | — | US | 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 |