Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.48 |
| ▸ | MERTK | Q12866 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | ESRRA | P11474 | 1/20 | 0.46 |
| ▸ | AR | P10275 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | PRKDC | P78527 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1939464 | 0.87 | VCAM1 (0.58) | VCAM1ALDH1A1TDP1MAPTMERTK | |
| SCHEMBL2725343 | 0.85 | ALDH1A1 (0.53) | ALDH1A1TDP1LMNAMAPTSIRT6 | |
| SCHEMBL16952936 | 0.83 | ALDH1A1 (0.51) | ALDH1A1TDP1LMNAMAPTSIRT6 | |
| SCHEMBL6818591 | 0.83 | MAPT (0.50) | VCAM1ALDH1A1TDP1LMNAMAPT | |
| SCHEMBL20575299 | 0.83 | VCAM1 (0.50) | VCAM1TDP1LMNAMAPTMERTK | |
| SCHEMBL31432402 | 0.83 | TRPV4 (0.54) | VCAM1ALDH1A1LMNAMAPTMERTK | |
| SCHEMBL31432638 | 0.80 | MAPT (0.53) | VCAM1ALDH1A1LMNAMAPTMERTK | |
| SCHEMBL7371195 | 0.80 | VCAM1 (0.54) | VCAM1ALDH1A1TDP1MAPTESRRA | |
| SCHEMBL15174209 | 0.80 | VCAM1 (0.50) | VCAM1TDP1MAPTMERTKMEN1 | |
| SCHEMBL31431100 | 0.79 | MAPT (0.59) | VCAM1ALDH1A1LMNAMAPTMERTK |
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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101362701-A | 2-amino-5-hydroxypropiophenone preparation method | UNIV FUDAN (CN) | 2009-02-11 | — | — | CN | claimed |
| WO-2024120471-A1 | COMPOUNDS TARGETING MUTANT OF P53 | JACOBIO PHARMACEUTICALS CO., LTD. (CN) | 2024-06-13 | — | — | WO | disclosed |
| WO-2024099226-A1 | BIPHENYL HETEROARYL-CONTAINING DIHYDROPTERIDINONE DERIVATIVE, AND USE THEREOF | 沈阳药科大学 | 2024-05-16 | — | — | WO | disclosed |
| EP-2507243-B1 | SPIROINDOLINONE PYRROLIDINES | HOFFMANN LA ROCHE (CH) | 2015-06-10 | — | — | EP | disclosed |
| EP-1781640-B1 | 2,4-DI(AMINOPHENYL)PYRIMIDINE DERIVATIVES AS PLK INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2015-01-07 | — | — | EP | disclosed |
| EP-2564850-B1 | Polo-like kinase inhibitors | TAKEDA PHARMACEUTICAL (JP) | 2014-08-13 | — | — | EP | disclosed |
| EP-2205241-B1 | POLO-LIKE KINASE INHIBITORS | TAKEDA PHARMACEUTICAL (JP) | 2014-05-21 | — | — | EP | disclosed |
| US-8642657-B2 | 4-(methyl sulfonyl amino) phenyl analogues as vanilloid antagonist showing excellent analgesic activity and the pharmaceutical compositions comprising the same | GRUENENTHAL GMBH (DE) | 2014-02-04 | — | — | US | disclosed |
| US-8318727-B2 | Polo-like kinase inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-11-27 | — | — | US | disclosed |
| EP-2507243-A1 | SPIROINDOLINONE PYRROLIDINES | F. Hoffmann-La Roche AG (CH) | 2012-10-10 | — | — | EP | disclosed |
| WO-2001029022-A1 | BENZOPYRAN DERIVATIVES | RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) | 2001-04-26 | — | — | WO | disclosed |
| US-6150379-A | BLOOD COAGULATION FACTOR XA INHIBITORS; TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE ACTIVITY; THROMBOLYTIC AND ISCHEMIC AGENTS; E.G., 2-(6-(5-AMIDINO-1H-BENZIMIDAZOL-2-YL)-PYRID-3-YLCARBONYLAMINO)-3 -HYDROXYBUTYRIC ACID | AXYS PHARMACEUTICALS, INC. (US) | 2000-11-21 | — | — | US | disclosed |
| WO-1999026932-A1 | BY AMIDINO GROUP SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTICOAGULANTS | AXYS PHARMACEUTICALS, INC. (US) | 1999-06-03 | — | — | WO | disclosed |
| WO-1999026941-A1 | SUBSTITUTED AMIDINOARYL DERIVATIVES AND THEIR USE AS ANTICOAGULANTS | AXYS PHARMACEUTICALS, INC. (US) | 1999-06-03 | — | — | WO | disclosed |
| EP-0729457-B1 | DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS | AMERICAN HOME PROD (US) | 1998-12-23 | — | — | EP | disclosed |
| US-5840764-A | SMOOTH MUSCLE RELAXANTS FOR TREATMENT OF URINARY INCONTINENCE OR IRRITABLE BOWEL SYNDROME | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-11-24 | — | — | US | disclosed |
| WO-1998033763-A1 | SUBSTITUTED HYDROXY-ANILINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-08-06 | — | — | WO | disclosed |
| EP-0729457-A1 | DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1996-09-04 | — | — | EP | disclosed |
| US-5506252-A | MUSCLE RELAXANTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1996-04-09 | — | — | US | disclosed |
| WO-1995014005-A1 | DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1995-05-26 | — | — | WO | disclosed |