Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 9/20 | 0.86 |
| ▸ | AKR1C2 | P52895 | 9/20 | 0.86 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.65 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.65 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.62 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.62 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.62 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.61 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.61 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.61 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | PTGES | O14684 | 1/20 | 0.61 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL2615155 | 0.95 | AKR1C3 (0.83) | AKR1C3AKR1C2PTGS2PTGS1LMNA | |
| SCHEMBL2615154 | 0.95 | AKR1C3 (0.83) | AKR1C3AKR1C2PTGS2PTGS1LMNA | |
| SCHEMBL2615156 | 0.93 | AKR1C3 (1.00) | AKR1C3AKR1C2PTGS2PTGS1LMNA | |
| SCHEMBL2615153 | 0.93 | AKR1C3 (1.00) | AKR1C3AKR1C2PTGS2PTGS1LMNA | |
| SCHEMBL2997297 | 0.91 | PTGS2 (0.79) | AKR1C3AKR1C2PTGS2PTGS1LMNA | |
| SCHEMBL13802249 | 0.89 | AKR1C3 (0.74) | AKR1C3AKR1C2PTGS2PTGS1LMNA | |
| SCHEMBL5796934 | 0.88 | AKR1C3 (1.00) | AKR1C3AKR1C2PTGS2PTGS1LMNA | |
| SCHEMBL5447453 | 0.85 | AKR1C3 (0.66) | AKR1C3AKR1C2PTGS2PTGS1LMNA | |
| SCHEMBL11658058 | 0.85 | AKR1C3 (0.66) | AKR1C3AKR1C2PTGS2PTGS1LMNA | |
| SCHEMBL11730189 | 0.85 | AKR1C3 (0.66) | AKR1C3AKR1C2PTGS2PTGS1LMNA |
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 |