Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | ATM | Q13315 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CCR6 | P51684 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10293945 | 0.77 | MEN1 (0.38) | MEN1KMT2ACYP3A4PTGS1DRD3 | |
| SCHEMBL6853502 | 0.77 | KMT2A (0.38) | MEN1KMT2ACYP3A4PTGS1DRD3 | |
| SCHEMBL20687406 | 0.76 | — | — | |
| SCHEMBL12261897 | 0.75 | CHRNB2 (0.41) | CHRNB2CHRNB4CHRNA3CHRNA4MEN1 | |
| SCHEMBL1185478 | 0.73 | NR4A2 (0.41) | MEN1KMT2ACYP3A4PTGS1DRD3 | |
| SCHEMBL826911 | 0.73 | ALDH1A1 (0.41) | CHRNB2CHRNB4CHRNA3CHRNA4MEN1 | |
| SCHEMBL6849912 | 0.72 | KMT2A (0.44) | KMT2AALDH1A1POLBHMGCR | |
| SCHEMBL633305 | 0.67 | TPMT (0.52) | MEN1KMT2ACYP3A4PTGS1DRD3 | |
| SCHEMBL1187071 | 0.66 | SLC7A5 (0.39) | MEN1KMT2AATMMAPTNPSR1 | |
| SCHEMBL6858030 | 0.65 | CYP3A4 (0.33) | MEN1KMT2ACYP3A4PTGS1DRD3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6831177-B1 | Preparation of their intermediates, 2-acyl-5-benzylfuran derivatives and 1,2,4-triazole-3- carboxylic acid ester derivatives | SHIONOGI & CO., LTD. (JP) | 2004-12-14 | — | — | US | disclosed |
| CN-1367784-A | Process for preparing substituted propenone derivatives | SHIONOGI & CO (JP) | 2002-09-04 | — | — | CN | disclosed |
| EP-1186599-A1 | NOVEL PROCESSES FOR THE PREPARATION OF SUBSTITUTED PROPENONE DERIVATIVES | SHIONOGI & CO., LTD. (JP) | 2002-03-13 | — | — | EP | disclosed |