Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 6/20 | 0.48 |
| ▸ | PGR | P06401 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.43 |
| ▸ | HTR1D | P28221 | 2/20 | 0.43 |
| ▸ | HTR1B | P28222 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6579233 | 0.91 | PGR (0.49) | PGRMEN1KMT2AALDH1A1CYP2C9 | |
| Dimethylamine SCHEMBL6763137 | 0.90 | PGR (0.47) | PGRMEN1KMT2AALDH1A1CYP2C9 | |
| SCHEMBL6583352 | 0.90 | PGR (0.50) | PGRMEN1KMT2AALDH1A1CYP2C9 | |
| SCHEMBL6584769 | 0.89 | PGR (0.50) | PGRMEN1KMT2AALDH1A1CYP2C9 | |
| SCHEMBL6584768 | 0.89 | KMT2A (0.49) | PGRMEN1KMT2AALDH1A1CYP2C9 | |
| SCHEMBL6583317 | 0.88 | PGR (0.49) | PGRMEN1KMT2AALDH1A1CYP2C9 | |
| SCHEMBL6763131 | 0.87 | PGR (0.46) | PGRMEN1KMT2AALDH1A1CYP2C9 | |
| SCHEMBL6582141 | 0.87 | SETD7 (0.51) | PGRMEN1KMT2AALDH1A1CYP2C9 | |
| SCHEMBL6581786 | 0.86 | PDE4B (0.49) | PGRMEN1KMT2AALDH1A1CYP2C9 | |
| SCHEMBL6578966 | 0.85 | PGR (0.55) | PGRMEN1KMT2AALDH1A1PTGS2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6696446-B1 | HETEROCYLCIC AMIDES SUCH AS N-(4-(3-(3-(3-ETHOXY-4-METHOXY PHENYL)-1,4,5,6-TETRAHYDRO-1-PYRIDAZINYLCARBONYL)PHENYLAMINO -CARBONYL)PHENYL)-4-NITROBENZAMIDE, SUED AS PHOSPHODIESTERASE INHIBITORSFOR PROPHYLAXIS OF ALLERGIES OR ASTHMA | MERCK PATENT GMBH (DE) | 2004-02-24 | — | — | US | disclosed |