Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 11/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
| ▸ | PPARG | P37231 | 6/20 | 0.48 |
| ▸ | PPARD | Q03181 | 4/20 | 0.48 |
| ▸ | FBP1 | P09467 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2615466 | 0.94 | PPARA (0.51) | PPARACYP1A2CYP3A4ABCB11TSHR | |
| SCHEMBL2615467 | 0.93 | PPARA (0.65) | PPARACYP1A2CYP3A4ABCB11TSHR | |
| SCHEMBL2615473 | 0.86 | PPARA (0.47) | PPARACYP1A2CYP3A4ABCB11TSHR | |
| SCHEMBL1417870 | 0.85 | PPARA (0.71) | PPARACYP1A2CYP3A4ABCB11TSHR | |
| Simfibrate SCHEMBL27667 | 0.84 | PPARA (0.74) | PPARACYP1A2CYP3A4ABCB11TSHR | |
| SCHEMBL2615470 | 0.82 | L3MBTL1 (0.59) | CYP1A2TSHRPOLBKMT2AMEN1 | |
| SCHEMBL14463088 | 0.81 | POLB (0.51) | PPARAPPARGPPARDPOLBKMT2A | |
| SCHEMBL21991451 | 0.80 | PPARA (0.46) | PPARACYP1A2CYP3A4ABCB11TSHR | |
| SCHEMBL31670754 | 0.79 | PPARA (0.55) | PPARACYP1A2CYP3A4ABCB11TSHR | |
| SCHEMBL19493386 | 0.79 | PPARA (0.48) | PPARACYP1A2CYP3A4ABCB11TSHR |
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-2010081036-A2 | FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2010-07-15 | — | — | WO | disclosed |