Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 2/20 | 0.78 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.76 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.75 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.73 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.73 |
| ▸ | RAB9A | P51151 | 8/20 | 0.71 |
| ▸ | NPC1 | O15118 | 6/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.71 |
| ▸ | TP53 | P04637 | 2/20 | 0.71 |
| ▸ | LMNA | P02545 | 1/20 | 0.71 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.71 |
| ▸ | MAPT | P10636 | 3/20 | 0.68 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.68 |
| ▸ | GFER | P55789 | 1/20 | 0.68 |
| ▸ | HTT | P42858 | 1/20 | 0.66 |
| ▸ | GAA | P10253 | 1/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL10327416 | 0.90 | ALDH1A1 (0.80) | NAMPTALDH1A1TDP1ROCK2ROCK1 | |
| SCHEMBL21391312 | 0.86 | ROCK2 (0.71) | NAMPTALDH1A1TDP1ROCK2ROCK1 | |
| SCHEMBL28777431 | 0.86 | TDP1 (1.00) | NAMPTALDH1A1TDP1ROCK2ROCK1 | |
| SCHEMBL5384036 | 0.85 | ROCK2 (0.76) | NAMPTALDH1A1TDP1ROCK2ROCK1 | |
| Nicotinanilide SCHEMBL29067673 | 0.85 | LMNA (0.83) | NAMPTALDH1A1TDP1ROCK2ROCK1 | |
| Nicotinanilide SCHEMBL352439 | 0.85 | LMNA (0.83) | NAMPTALDH1A1TDP1ROCK2ROCK1 | |
| SCHEMBL14880208 | 0.85 | ROCK2 (1.00) | NAMPTALDH1A1TDP1ROCK2ROCK1 | |
| SCHEMBL22983024 | 0.84 | ROCK2 (0.69) | NAMPTALDH1A1TDP1ROCK2ROCK1 | |
| SCHEMBL28871781 | 0.84 | PTGS2 (0.67) | NAMPTALDH1A1TDP1ROCK2ROCK1 | |
| SCHEMBL31006487 | 0.84 | PTGS2 (0.67) | NAMPTALDH1A1TDP1ROCK2ROCK1 |
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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2334643-A1 | PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES | Actelion Pharmaceuticals Ltd. (CH) | 2011-06-22 | — | — | EP | claimed |
| EP-1303490-A1 | N-OXIDES AS NK1 RECEPTOR ANTAGONIST PRODRUGS OF 4-PHENYL-PYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-04-23 | — | — | EP | claimed |
| WO-2002006236-A1 | N-OXIDES AS NK1 RECEPTOR ANTAGONIST PRODRUGS OF 4-PHENYL-PYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-01-24 | — | — | WO | claimed |
| CN-119998260-A | Process for preparing amides from esters | 巴斯夫欧洲公司 | 2025-05-13 | — | — | CN | disclosed |
| CN-117843567-A | Diazaaryl ring substituted benzene derivatives, compositions and uses thereof | 康迈迪森(北京)医药科技有限公司 | 2024-04-09 | — | — | CN | disclosed |
| CN-112279808-B | Cystic fibrosis transmembrane conductance regulator modulators | 弗特克斯药品有限公司 | 2024-03-08 | — | — | CN | disclosed |
| CN-112250627-B | Cystic fibrosis transmembrane conductance regulator modulators | 弗特克斯药品有限公司 | 2024-02-02 | — | — | CN | disclosed |
| WO-2023109883-A1 | AROMATIC HETEROCYCLE-SUBSTITUTED COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翊石医药科技有限公司 | 2023-06-22 | — | — | WO | disclosed |
| CN-112279808-A | Cystic fibrosis transmembrane transduction modulator modulators | 弗特克斯药品有限公司 | 2021-01-29 | — | — | CN | disclosed |
| CN-112250627-A | Cystic fibrosis transmembrane transduction modulator modulators | 弗特克斯药品有限公司 | 2021-01-22 | — | — | CN | disclosed |
| CN-107690281-B | Cystic fibrosis transmembrane transduction modulator modulators | 弗特克斯药品有限公司 | 2020-11-17 | — | — | CN | disclosed |
| WO-2007041379-A1 | MET KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-04-12 | — | — | WO | disclosed |
| EP-1385577-B1 | USE OF NK-1 RECEPTOR ANTAGONISTS AGAINST BENIGN PROSTATIC HYPERPLASIA | HOFFMANN LA ROCHE (CH) | 2006-04-19 | — | — | EP | disclosed |
| EP-1406618-A2 | USE OF NK-1 RECEPTOR ANTAGONISTS WITH PYRIDINIC STRUCTURE FOR THE TREATMENT OF BRAIN, SPINAL OR NERVE INJURY | F. HOFFMANN-LA ROCHE AG (CH) | 2004-04-14 | — | — | EP | disclosed |
| EP-1385577-A2 | USE OF NK-1 RECEPTOR ANTAGONISTS AGAINST BENIGN PROSTATIC HYPERPLASIA | F. Hoffman-la Roche AG (CH) | 2004-02-04 | — | — | EP | disclosed |
| WO-2003007954-A2 | SULFONYL ARYL HYDROXAMATES AND THEIR USE AS MATRIX METALLOPROTEASE INHIBITORS | PHARMACIA CORPORATION (US) | 2003-01-30 | — | — | WO | disclosed |
| WO-2003006016-A2 | USE OF NK-1 RECEPTOR ANTAGONISTS WITH PYRIDINIC STRUCTURE, FOR THE TREATMENT OF BRAIN, SPINAL OR NERVE INJURY | F. HOFFMANN-LA ROCHE AG (CH) | 2003-01-23 | — | — | WO | disclosed |
| US-6479483-B2 | 3,4,6-SUBSTITUTED PYRIDINE DERIVATIVES USEFUL FOR TREATING DEPRESSION AND PAIN, RESULTING FROM INFLAMMATORY CONDITIONS, SUCH AS MIGRAINE, RHEUMATOID ARTHRITIS, ASTHMA AND INFLAMATORY BOWEL DISEASE; NK1 RECEPTOR ANTAGONIST | HOFFMANN-LA ROCHE INC. | 2002-11-12 | — | — | US | disclosed |
| WO-2002085458-A2 | USE OF NK-1 RECEPTOR ANTAGONISTS AGAINST BENIGN PROSTATIC HYPERPLASIA | F. HOFFMAN-LA ROCHE AG (CH) | 2002-10-31 | — | — | WO | disclosed |
| EP-1035115-A1 | 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists | F. HOFFMANN-LA ROCHE AG (CH) | 2000-09-13 | — | — | EP | disclosed |