Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 14/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 4/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | GMNN | O75496 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TYR | P14679 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28015659 | 0.87 | ESR2 (0.41) | ESR2KDM1AESR1CYP3A4KDM4E | |
| SCHEMBL30217447 | 0.79 | SLC6A2 (0.38) | ALDH1A1LMNARAB9AHSD17B10 | |
| SCHEMBL22908940 | 0.79 | — | — | |
| SCHEMBL28015411 | 0.79 | ATM (0.39) | KDM1AMAPTRECQL | |
| SCHEMBL23447069 | 0.79 | MEN1 (0.33) | MEN1KMT2AMAPT | |
| SCHEMBL23161981 | 0.79 | MEN1 (0.33) | MEN1KMT2AMAPT | |
| SCHEMBL28949260 | 0.79 | SLC6A2 (0.38) | ALDH1A1LMNARAB9AHSD17B10 | |
| SCHEMBL12993026 | 0.79 | MEN1 (0.33) | MEN1KMT2AMAPT | |
| SCHEMBL16705503 | 0.79 | — | — | |
| SCHEMBL28011788 | 0.79 | KDM1A (0.38) | KDM1ACYP3A4MEN1KMT2ANPC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109963848-B | Substituted N- (3-fluoropropyl) -pyrrolidine compounds, preparation thereof and therapeutic use thereof | 赛诺菲 | 2022-07-05 | — | — | CN | disclosed |
| CN-109331016-A | A kind of application of genistein benzylpiperazine derivative in diabetes field | 山东理工大学 | 2019-02-15 | — | — | CN | disclosed |
| CN-108467699-A | A kind of Optical adhesive composition and preparation method thereof | 苏州盛达胶粘制品有限公司 | 2018-08-31 | — | — | CN | disclosed |
| WO-2005058298-A2 | FK228 ANALOGS AND THEIR USE AS HDAC-INHIBITORS | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2005-06-30 | — | — | WO | disclosed |