Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.38 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.37 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 2/20 | 0.36 |
| ▸ | SMARCA2 | P51531 | 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 | |
|---|---|---|---|---|
| SCHEMBL5187958 | 0.84 | CYP3A4 (0.42) | ALDH1A1HSD17B10NCOA1NCOA3CYP3A4 | |
| SCHEMBL27722531 | 0.81 | JAK2 (0.44) | ALDH1A1HSD17B10MAPK1ADORA2AADORA1 | |
| SCHEMBL3373647 | 0.77 | ALDH1A1 (0.59) | ALDH1A1HSD17B10HPGDCYP3A4TDP1 | |
| SCHEMBL8490974 | 0.77 | PRKCI (0.44) | ADORA2AADORA1ADORA3LIMK1 | |
| SCHEMBL1644865 | 0.77 | ABL1 (0.49) | ALDH1A1MAPK1CYP3A4TDP1ADORA2A | |
| SCHEMBL1921664 | 0.77 | HSD17B1 (0.45) | ALDH1A1HSD17B10CYP3A4TDP1ADORA1 | |
| SCHEMBL7995314 | 0.75 | ALDH1A1 (0.59) | ALDH1A1HSD17B10DPP4HPGDBCL2L1 | |
| SCHEMBL185890 | 0.74 | ALDH1A1 (0.41) | ALDH1A1HSD17B10DPP4HPGDBCL2L1 | |
| SCHEMBL522214 | 0.74 | HSD17B10 (0.41) | ALDH1A1HSD17B10DPP4MAPK1CYP3A4 | |
| SCHEMBL21224461 | 0.74 | DPP4 (0.44) | ALDH1A1HSD17B10DPP4HPGDCYP2A6 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3781557-A1 | PHARMACEUTICAL COMBINATION PRODUCTS COMPRISING A HISTONE DEACETYLASE (HDAC) INHIBITOR AND A TLR7 AGONIST AND/OR TLR8 AGONIST FOR THE TREATMENT OF CANCER | 4SC AG (DE) | 2021-02-24 | — | — | EP | disclosed |
| WO-2019200238-A1 | COMBINATIONS INCLUDING A CPG-C TYPE OLIGONUCLEOTIDE AND A HISTONE DEACETYLASE INHIBITOR FOR TREATING CANCER | DYNAVAX TECHNOLOGIES CORPORATION (US) | 2019-10-17 | — | — | WO | disclosed |
| WO-2019197682-A1 | PHARMACEUTICAL COMBINATION PRODUCTS COMPRISING A HISTONE DEACETYLASE (HDAC) INHIBITOR AND A TLR7 AGONIST AND/OR TLR8 AGONIST FOR THE TREATMENT OF CANCER | 4SC AG (DE) | 2019-10-17 | — | — | WO | disclosed |
| EP-2699572-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | Origenis GmbH (DE) | 2014-02-26 | — | — | EP | disclosed |
| WO-2012143143-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | ORIGENIS GMBH (DE) | 2012-10-26 | — | — | WO | disclosed |
| CN-1259942-A | Novel guanidine mimics as factor Xa inhibitors | DU PONT MERCK PHARMA (US) | 2000-07-12 | — | — | CN | disclosed |
| US-6060491-A | ANTICOAGULANTS; THROMBOEMBOLIC DISORDERS; PROPHYLAXIS | DUPONT PHARMACEUTICALS (US) | 2000-05-09 | — | — | US | disclosed |
| EP-0993448-A1 | (AMIDINO)6-MEMBERED AROMATICS AS FACTOR Xa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 2000-04-19 | — | — | EP | disclosed |
| EP-0991625-A2 | INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 2000-04-12 | — | — | EP | disclosed |
| US-5998424-A | ANTICOAGULANTS | DUPONT PHARMACEUTICALS COMPANY (US) | 1999-12-07 | — | — | US | disclosed |
| WO-1998057934-A1 | (AMIDINO)6-MEMBERED AROMATICS AS FACTOR Xa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-12-23 | — | — | WO | disclosed |
| WO-1998057937-A2 | INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-12-23 | — | — | WO | disclosed |