Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.52 |
| ▸ | POLB | P06746 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | BRAF | P15056 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 3/20 | 0.48 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.47 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.47 |
| ▸ | PLK1 | P53350 | 1/20 | 0.47 |
| ▸ | STK10 | O94804 | 1/20 | 0.46 |
| ▸ | SLK | Q9H2G2 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29120686 | 0.87 | ALDH1A1 (0.59) | NPC1POLBMAPTMEN1KMT2A | |
| SCHEMBL29120687 | 0.85 | ALDH1A1 (0.53) | NPC1POLBMAPTMEN1KMT2A | |
| SCHEMBL7354053 | 0.85 | PLK1 (0.50) | NPC1POLBMAPTMEN1KMT2A | |
| SCHEMBL29120695 | 0.84 | NPC1 (0.61) | NPC1POLBMAPTMEN1KMT2A | |
| SCHEMBL8668406 | 0.83 | NPC1 (0.52) | NPC1POLBMAPTMEN1KMT2A | |
| SCHEMBL29120691 | 0.82 | IGF1R (0.54) | NPC1POLBMAPTMEN1KMT2A | |
| SCHEMBL29120689 | 0.82 | BRAF (0.47) | NPC1POLBMAPTMEN1KMT2A | |
| SCHEMBL29120693 | 0.81 | SYK (0.54) | NPC1POLBMAPTMEN1KMT2A | |
| SCHEMBL8669622 | 0.81 | PLK1 (0.61) | PLK1SLKAURKA | |
| SCHEMBL3155590 | 0.80 | NPC1 (0.62) | NPC1POLBMAPTMEN1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0729457-B1 | DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS | AMERICAN HOME PROD (US) | 1998-12-23 | — | — | EP | claimed |