Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 4/20 | 0.35 |
| ▸ | CA1 | P00915 | 9/20 | 0.34 |
| ▸ | CA2 | P00918 | 9/20 | 0.34 |
| ▸ | CA9 | Q16790 | 9/20 | 0.34 |
| ▸ | CA4 | P22748 | 5/20 | 0.34 |
| ▸ | CA12 | O43570 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL363288 | 0.97 | GPBAR1 (0.39) | GPBAR1CA1CA2CA9CA4 | |
| SCHEMBL365274 | 0.87 | GPBAR1 (0.46) | GPBAR1MEN1KMT2ACYP1A2POLB | |
| SCHEMBL364467 | 0.87 | GPBAR1 (0.39) | GPBAR1CA1CA2CA9CA4 | |
| SCHEMBL363016 | 0.87 | GPBAR1 (0.39) | GPBAR1CA1CA2CA9CA4 | |
| SCHEMBL363176 | 0.87 | GPBAR1 (0.39) | GPBAR1CA1CA2CA9CA4 | |
| SCHEMBL361734 | 0.86 | GPBAR1 (0.34) | GPBAR1MEN1KMT2AKDM4EEP300 | |
| SCHEMBL362955 | 0.85 | MGAM (0.38) | CA1CA2CA9CA12GAA | |
| SCHEMBL12505651 | 0.85 | GPBAR1 (0.35) | GPBAR1GAABRD4 | |
| SCHEMBL363178 | 0.84 | GPBAR1 (0.51) | GPBAR1MEN1KMT2ACYP1A2POLB | |
| SCHEMBL363781 | 0.83 | GPBAR1 (0.35) | GPBAR1KEAP1NFE2L2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2593426-A1 | 1-HYDROXYIMINO-3-PHENYL-PROPANES | F.HOFFMANN-LA ROCHE AG (CH) | 2013-05-22 | — | — | EP | claimed |
| WO-2012007365-A1 | 1-HYDROXYIMINO-3-PHENYL-PROPANES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-19 | — | — | WO | claimed |
| EP-2593426-A1 | 1-HYDROXYIMINO-3-PHENYL-PROPANES | F.HOFFMANN-LA ROCHE AG (CH) | 2013-05-22 | — | — | EP | disclosed |
| WO-2012007365-A1 | 1-HYDROXYIMINO-3-PHENYL-PROPANES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-19 | — | — | WO | disclosed |