Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MDM2 | Q00987 | 3/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | AKT2 | P31751 | 2/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL28281518 | 0.89 | MAPK14 (0.42) | MAPT | |
| SCHEMBL28281520 | 0.86 | MAPK13 (0.45) | KDM4ENPSR1ALDH1A1MAPTLMNA | |
| SCHEMBL5311811 | 0.82 | PTGS2 (0.56) | CYP3A4LMNA | |
| SCHEMBL8740901 | 0.80 | AKT2 (0.45) | MDM2AKT2CHEK1ATMBRD4 | |
| SCHEMBL13922078 | 0.80 | ATM (0.40) | MDM2ATMKDM4EHPGDSMN1; SMN2 | |
| SCHEMBL10993989 | 0.79 | MAPK14 (0.41) | — | |
| Toluene SCHEMBL27818159 | 0.79 | KDM4E (0.48) | KDM4EHPGDKMT2AALDH1A1GAA | |
| SCHEMBL11017012 | 0.77 | SERPINE1 (0.40) | ESR2ATMKDM4EHPGDSMN1; SMN2 | |
| SCHEMBL4792528 | 0.76 | PARP1 (0.45) | ESR1ESR2CHEK1KDM4EHPGD | |
| SCHEMBL28856326 | 0.76 | ESR1 (0.42) | MDM2ESR1ESR2CHEK1KDM4E |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109503452-B | Preparation method of 2,3, 4-trisubstituted pyrrole derivative | 华侨大学 | 2021-11-02 | — | — | CN | disclosed |
| CN-109503452-A | A kind of preparation method of tri- substituted azole derivatives of 2,3,4- | 华侨大学 | 2019-03-22 | — | — | CN | disclosed |
| US-5260451-A | Enzyme inhibitors | MERCKLE GMBH (DE) | 1993-11-09 | — | — | US | disclosed |
| US-4495196-A | Antiinflammatory 4,5-diaryl-α-polyfluoroalkyl-1H-pyrrole-2-methanols and method for use thereof | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1985-01-22 | — | — | US | disclosed |
| EP-0038536-B1 | ANTIINFLAMMATORY 4,5-DIARYL-ALPHA-(POLYFLUOROALKYL)-1H-PYRROLE-2-METHANAMINES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1984-02-01 | — | — | EP | disclosed |
| EP-0005156-B1 | 4,5-DIARYL-2-(SUBSTITUTED-THIO)-PYRROLES AND THEIR CORRESPONDING SULFOXIDES AND SULFONES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1982-09-22 | — | — | EP | disclosed |
| US-4335136-A | Anti-inflammatory 4,5-diaryl-α-(polyfluoroalkyl)-1H-pyrrole-2-methanamines | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1982-06-15 | — | — | US | disclosed |
| EP-0038997-A1 | Anti-inflammatory 4,5-diaryl-alpha, alpha-bis(polyfluoroalkyl)-1H-pyrrole-2-methane thiols, processes for their preparation and pharmaceutical compositions containing them | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1981-11-04 | — | — | EP | disclosed |
| EP-0038536-A1 | Antiinflammatory 4,5-diaryl-alpha-(polyfluoroalkyl)-1H-pyrrole-2-methanamines | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1981-10-28 | — | — | EP | disclosed |
| US-4267190-A | AND METHOD OF ADMINISTERING TO MAMMALS FOR TREATMENT OF ARTHRITIS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1981-05-12 | — | — | US | disclosed |
| US-4267184-A | USEFUL FOR TREATING ARTHRITIS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1981-05-12 | — | — | US | disclosed |
| EP-0025884-A1 | 4,5-Diaryl-alpha-polyfluoroalkyl-1H-pyrrole-2-methanols and 1-(4,5-diaryl-1H-pyrrol-2-yl)-polyfluoroalkanones, processes for preparing them and pharmaceutical compositions | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1981-04-01 | — | — | EP | disclosed |
| EP-0005156-A1 | 4,5-diaryl-2-(substituted-thio)-pyrroles and their corresponding sulfoxides and sulfones, process for their preparation and pharmaceutical compositions containing them | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1979-11-14 | — | — | EP | disclosed |