Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.44 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | PNP | P00491 | 1/20 | 0.38 |
| ▸ | POLA1 | P09884 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 6/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 6/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 5/20 | 0.36 |
| ▸ | CDK2 | P24941 | 5/20 | 0.36 |
| ▸ | CCNA1 | P78396 | 5/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.36 |
| ▸ | MGMT | P16455 | 1/20 | 0.36 |
| ▸ | PI4KA | P42356 | 2/20 | 0.36 |
| ▸ | PI4K2B | Q8TCG2 | 2/20 | 0.36 |
| ▸ | PI4K2A | Q9BTU6 | 2/20 | 0.36 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | XDH | P47989 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 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 | |
|---|---|---|---|---|
| SCHEMBL1924592 | 0.85 | PDPK1 (0.59) | PDPK1GDALMNAPNPPOLA1 | |
| SCHEMBL29592683 | 0.85 | PDPK1 (0.59) | PDPK1GDALMNAPNPPOLA1 | |
| Water SCHEMBL28083708 | 0.83 | PDPK1 (0.58) | PDPK1GDALMNAPNPPOLA1 | |
| Barbital SCHEMBL2130349 | 0.80 | LMNA (0.44) | LMNAALDH1A1 | |
| SCHEMBL29514836 | 0.73 | PDPK1 (0.56) | PDPK1GDALMNAPNPPOLA1 | |
| SCHEMBL215054 | 0.73 | PDPK1 (0.56) | PDPK1GDALMNAPNPPOLA1 | |
| SCHEMBL11222102 | 0.72 | PDPK1 (0.63) | PDPK1GDALMNAPNPPOLA1 | |
| SCHEMBL17060283 | 0.71 | PDPK1 (0.61) | PDPK1GDALMNAPNPPOLA1 | |
| SCHEMBL17165348 | 0.71 | GDA (0.53) | PDPK1GDALMNAPNPPOLA1 | |
| SCHEMBL31239223 | 0.71 | PDPK1 (0.53) | PDPK1GDALMNAPNPCDK2 |
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-1608339-B8 | PHARMACEUTICAL CO-CRYSTAL OF CELECOXIB-NICOTINAMIDE | MCNEIL PPC INC (US) | 2012-04-25 | — | — | EP | disclosed |
| EP-1608339-A1 | PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHIAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN | Transform Pharmaceuticals, Inc. (US) | 2005-12-28 | — | — | EP | disclosed |
| WO-2004078161-A1 | PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPTINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHIAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN | TRANSFORM PHARMACEUTICALS, INC. (US) | 2004-09-16 | — | — | WO | disclosed |