Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | ME2 | P23368 | 1/20 | 0.38 |
| ▸ | ME1 | P48163 | 1/20 | 0.38 |
| ▸ | ME3 | Q16798 | 1/20 | 0.38 |
| ▸ | STS | P08842 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL18134730 | 0.78 | PIK3CA (0.42) | P2RX7OPRD1SIGMAR1KMT2AHRH3 | |
| SCHEMBL20143534 | 0.75 | KMT2A (0.33) | KMT2AMAPK1 | |
| SCHEMBL19853376 | 0.72 | KMT2A (0.43) | P2RX7OPRD1KCNH2KMT2AHRH3 | |
| SCHEMBL29139337 | 0.72 | PIK3CA (0.42) | OPRD1KCNH2HRH3ME2ME1 | |
| SCHEMBL24486831 | 0.72 | HRH3 (0.38) | KCNH2HRH3ALDH1A1CYP3A4 | |
| SCHEMBL23469904 | 0.71 | KMT2A (0.30) | KMT2A | |
| SCHEMBL23743608 | 0.71 | — | — | |
| SCHEMBL19017571 | 0.71 | — | — | |
| SCHEMBL24493563 | 0.71 | — | — | |
| SCHEMBL15691984 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9790483-B2 | Reagents and methods for esterification | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2017-10-17 | — | — | US | disclosed |