Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 14/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | USP2 | O75604 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | GMNN | O75496 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8212225 | 0.83 | MAPT (0.42) | MAPTLMNATP53KMT2ANPSR1 | |
| SCHEMBL8221326 | 0.81 | KMT2A (0.44) | MAPTKDM4EUSP2LMNATP53 | |
| SCHEMBL8220878 | 0.72 | ALOX15 (0.50) | ESR1MAPTKDM4EUSP2LMNA | |
| SCHEMBL3270763 | 0.72 | BRAF (0.50) | MAPTKDM4EUSP2LMNACYP3A4 | |
| SCHEMBL28718113 | 0.67 | ESR1 (0.42) | ESR1MAPTKDM4EUSP2LMNA | |
| Propylpyrazoletriol SCHEMBL426190 | 0.66 | ESR1 (1.00) | ESR1MAPTKDM4EUSP2LMNA | |
| SCHEMBL21889053 | 0.66 | SIGMAR1 (0.43) | ESR1MAPTKDM4EUSP2LMNA | |
| SCHEMBL23402943 | 0.65 | MAPT (0.40) | ESR1MAPTKDM4EUSP2LMNA | |
| SCHEMBL21051412 | 0.65 | ESR1 (0.52) | ESR1MAPTKDM4EUSP2LMNA | |
| SCHEMBL8214582 | 0.65 | KMT2A (0.40) | ESR1MAPTKDM4EUSP2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008021871-A2 | TRIAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2008-02-21 | — | — | WO | disclosed |