Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.53 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.49 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.49 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 2/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.45 |
| ▸ | APP | P05067 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SELP | P16109 | 3/20 | 0.41 |
| ▸ | SELL | P14151 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2852643 | 0.97 | AKR1C1 (0.49) | AKR1C1AKR1B10AKR1C4AKR1C3AKR1C2 | |
| SCHEMBL5723716 | 0.82 | AKR1C3 (0.70) | AKR1C1AKR1B10AKR1C4AKR1C3AKR1C2 | |
| SCHEMBL17713206 | 0.80 | AKR1C1 (0.53) | AKR1C1AKR1C3AKR1C2MEN1KMT2A | |
| SCHEMBL10110060 | 0.79 | AKR1C1 (0.57) | AKR1C1AKR1B10AKR1C4AKR1C3AKR1C2 | |
| SCHEMBL1048151 | 0.77 | AKR1C1 (0.68) | AKR1C1MEN1KMT2ATSHRCYP2C19 | |
| SCHEMBL1465474 | 0.77 | APP (0.50) | AKR1C1AKR1B10AKR1C4AKR1C3AKR1C2 | |
| SCHEMBL17713205 | 0.77 | APP (0.55) | AKR1C1AKR1B10AKR1C4AKR1C3AKR1C2 | |
| SCHEMBL3821416 | 0.75 | AKR1C1 (0.66) | AKR1C1MEN1KMT2ATSHRCYP2C19 | |
| SCHEMBL2860893 | 0.75 | AKR1C1 (0.66) | AKR1C1MEN1KMT2ATSHRCYP2C19 | |
| SCHEMBL16353290 | 0.75 | AKR1C3 (0.78) | AKR1C1AKR1B10AKR1C4AKR1C3AKR1C2 |
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-2010138901-A1 | CARBOXYLIC ACID-CONTAINING COMPOUNDS, DERIVATIVES THEREOF, AND RELATED METHODS OF USE | BIOGEN IDEC MA INC (US) | 2010-12-02 | — | — | WO | disclosed |