Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.51 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | DHODH | Q02127 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17535975 | 0.88 | ERN1 (0.51) | ERN1BACE1CA12CA1CA2 | |
| SCHEMBL19770515 | 0.87 | FGFR1 (0.44) | ERN1BACE1ALDH1A1NPC1RAB9A | |
| SCHEMBL10093046 | 0.85 | ERN1 (0.49) | ERN1BACE1ALDH1A1NPC1RAB9A | |
| SCHEMBL13262855 | 0.84 | CYP3A4 (0.42) | ERN1ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28189326 | 0.82 | CYP1A2 (0.54) | ERN1BACE1ALDH1A1L3MBTL1LMNA | |
| SCHEMBL30136447 | 0.81 | ALDH1A1 (0.58) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL294721 | 0.81 | ALDH1A1 (0.58) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL29997377 | 0.79 | FGFR1 (0.53) | ALDH1A1RAB9ATP53L3MBTL1KDM4E | |
| SCHEMBL28826439 | 0.79 | HTR1A (0.42) | ALDH1A1CA1CA2CA7CA9 | |
| SCHEMBL28891200 | 0.79 | FGFR1 (0.53) | ALDH1A1RAB9ATP53L3MBTL1KDM4E |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105143216-A | Antibacterial biaromatic derivatives | ACTELION PHARMACEUTICALS LTD | 2015-12-09 | — | — | CN | claimed |
| EP-1034164-B1 | SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | MERCK & CO INC (US) | 2004-05-19 | — | — | EP | claimed |
| EP-1034164-A4 | SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | MERCK & CO INC (US) | 2001-07-11 | — | — | EP | claimed |
| EP-1034164-A1 | SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | Merck & Co., Inc. (US) | 2000-09-13 | — | — | EP | claimed |
| WO-1999026921-A1 | SUBSTITUTED β-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 1999-06-03 | — | — | WO | claimed |
| CN-105143216-A | Antibacterial biaromatic derivatives | ACTELION PHARMACEUTICALS LTD | 2015-12-09 | — | — | CN | disclosed |
| CN-104326952-A | METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF | SUMITOMO CHEMICAL CO | 2015-02-04 | — | — | CN | disclosed |
| CN-104277004-A | METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF | SUMITOMO CHEMICAL CO | 2015-01-14 | — | — | CN | disclosed |
| CN-103965133-A | N, S heterocycle-containing compound having DHODH inhibition activity, preparation and use thereof | UNIV EAST CHINA SCIENCE & TECH | 2014-08-06 | — | — | CN | disclosed |
| CN-103965134-A | N, S-containing heterocyclic compound with nematicidal activity, preparation method and application thereof | UNIV EAST CHINA SCIENCE & TECH | 2014-08-06 | — | — | CN | disclosed |
| CN-103180300-A | Process for producing pyridazinone compound and intermediate thereof | SUMITOMO CHEMICAL CO | 2013-06-26 | — | — | CN | disclosed |
| EP-1034164-B1 | SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | MERCK & CO INC (US) | 2004-05-19 | — | — | EP | disclosed |
| US-6645939-B1 | Very late antigen-4 (VLA) integrin antagonists; antiallergens, antiasthmatics, and antiinflammatory agents; multiple sclerosis, autoimmune disease treatment | MERCK & CO., INC. | 2003-11-11 | — | — | US | disclosed |
| EP-1034164-A4 | SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | MERCK & CO INC (US) | 2001-07-11 | — | — | EP | disclosed |
| WO-2000071572-A1 | SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 2000-11-30 | — | — | WO | disclosed |
| EP-1034164-A1 | SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | Merck & Co., Inc. (US) | 2000-09-13 | — | — | EP | disclosed |
| WO-1999026921-A1 | SUBSTITUTED β-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 1999-06-03 | — | — | WO | disclosed |