Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 9/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SGK1 | O00141 | 1/20 | 0.45 |
| ▸ | PLK4 | O00444 | 1/20 | 0.45 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.45 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.45 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.45 |
| ▸ | JAK2 | O60674 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.45 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.45 |
| ▸ | FYN | P06241 | 1/20 | 0.45 |
| ▸ | CSF1R | P07333 | 1/20 | 0.45 |
| ▸ | MET | P08581 | 1/20 | 0.45 |
| ▸ | PIM1 | P11309 | 1/20 | 0.45 |
| ▸ | FLT1 | P17948 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1926838 | 0.88 | PLK1 (0.68) | PLK1SGK1PLK4CHEK1MAPK13 | |
| SCHEMBL8674402 | 0.85 | NPC1 (0.52) | PLK1MAPTNPC1POLBMEN1 | |
| SCHEMBL29120686 | 0.84 | ALDH1A1 (0.59) | MAPTNPC1POLBMEN1KMT2A | |
| SCHEMBL7348296 | 0.83 | TRPV1 (0.47) | PLK1MAPTNPC1POLBKDR | |
| SCHEMBL8669622 | 0.83 | PLK1 (0.61) | PLK1PLK4CHEK1PDPK1ROCK2 | |
| SCHEMBL29120687 | 0.82 | ALDH1A1 (0.53) | PLK1MAPTNPC1POLBMEN1 | |
| SCHEMBL2622212 | 0.81 | NPC1 (0.57) | PLK1MAPTNPC1POLBMEN1 | |
| SCHEMBL29120695 | 0.81 | NPC1 (0.61) | MAPTNPC1POLBMEN1KMT2A | |
| SCHEMBL8668406 | 0.80 | NPC1 (0.52) | MAPTNPC1POLBMEN1KMT2A | |
| SCHEMBL29120691 | 0.79 | IGF1R (0.54) | MAPTNPC1POLBMEN1KMT2A |
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 11 patents. 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 |
| EP-0729457-A1 | DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1996-09-04 | — | — | EP | claimed |
| WO-1995014005-A1 | DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1995-05-26 | — | — | WO | claimed |
| US-5401753-A | Smooth muscle relaxants for urogenital disorders | AMERICAN HOME PRODUCTS CORPORATION (US) | 1995-03-28 | — | — | US | claimed |
| EP-0729457-B1 | DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS | AMERICAN HOME PROD (US) | 1998-12-23 | — | — | EP | disclosed |
| US-5506252-A | MUSCLE RELAXANTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1996-04-09 | — | — | US | disclosed |
| US-5403854-A | Smooth muscle relaxants | AMERICAN HOME PRODUCTS CORPORATION (US) | 1995-04-04 | — | — | US | disclosed |
| US-5403853-A | Smooth muscle relaxants | AMERICAN HOME PRODUCTS CORPORATION (US) | 1995-04-04 | — | — | US | disclosed |
| US-5401753-A | Smooth muscle relaxants for urogenital disorders | AMERICAN HOME PRODUCTS CORPORATION (US) | 1995-03-28 | — | — | US | disclosed |
| US-5397790-A | Smooth muscle relaxants | AMERICAN HOME PRODUCTS CORPORATION (US) | 1995-03-14 | — | — | US | disclosed |
| US-5354763-A | Smooth muscle relaxants | AMERICAN HOME PRODUCTS CORPORATION (US) | 1994-10-11 | — | — | US | disclosed |