Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL19622217 | 0.88 | FGFR1 (0.39) | ACHEKDM4EALDH1A1KMT2AESR1 | |
| SCHEMBL8006259 | 0.79 | TTR (0.57) | KDM4EPOLBGAAMAPT | |
| SCHEMBL7855673 | 0.79 | PDE4B (0.41) | ACHEKDM4EALDH1A1 | |
| SCHEMBL19622253 | 0.77 | PDE4B (0.43) | — | |
| SCHEMBL14748411 | 0.76 | AR (0.39) | ALDH1A1GAAMAPK1MAPTTHRB | |
| SCHEMBL8010604 | 0.73 | — | — | |
| SCHEMBL10801947 | 0.71 | TUBB4A (0.49) | ACHEKDM4EALDH1A1KMT2AESR1 | |
| SCHEMBL10803421 | 0.70 | ACHE (0.48) | ACHEKDM4EALDH1A1KMT2AESR1 | |
| SCHEMBL16472180 | 0.69 | USP2 (0.40) | ALDH1A1KMT2AUSP2HPGDMAPK1 | |
| SCHEMBL14748429 | 0.68 | PTGS2 (0.43) | KDM4EALDH1A1KMT2AUSP2MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3246034-A1 | BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS | Anacor Pharmaceuticals, Inc. (US) | 2017-11-22 | — | — | EP | disclosed |