Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.57 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.57 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | PKM | P14618 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | SIRT6 | Q8N6T7 | 2/20 | 0.49 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.49 |
| ▸ | SNCA | P37840 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.47 |
| ▸ | PLAU | P00749 | 4/20 | 0.47 |
| ▸ | F2 | P00734 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL23796439 | 0.92 | AKR1C3 (0.64) | AKR1C3AKR1C2AKR1C1MAPTPKM | |
| SCHEMBL30032740 | 0.92 | AKR1C3 (0.64) | AKR1C3AKR1C2AKR1C1MAPTPKM | |
| SCHEMBL23796624 | 0.92 | AKR1C3 (0.64) | AKR1C3AKR1C2AKR1C1MAPTPKM | |
| SCHEMBL23796704 | 0.84 | PKM (0.59) | AKR1C3AKR1C2AKR1C1MAPTPKM | |
| SCHEMBL23796823 | 0.82 | PKM (0.71) | AKR1C3AKR1C2AKR1C1MAPTPKM | |
| SCHEMBL30031230 | 0.82 | PKM (0.71) | AKR1C3AKR1C2AKR1C1MAPTPKM | |
| SCHEMBL19749876 | 0.81 | ALOX15 (0.66) | MAPTPOLBTSHRHSD17B10KMT2A | |
| SCHEMBL13544383 | 0.80 | MAPT (0.58) | AKR1C3AKR1C2AKR1C1MAPTPKM | |
| SCHEMBL23796613 | 0.80 | PKM (0.73) | AKR1C3AKR1C2AKR1C1MAPTPKM | |
| SCHEMBL30031499 | 0.80 | PKM (0.73) | AKR1C3AKR1C2AKR1C1MAPTPKM |
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-2021180655-A1 | 2,5- OR 2,6-DISUBSTITUTED HYDROQUINONE DERIVATIVES WITH AT LEAST ONE CARBOXY, SULFO OR AMIDO GROUP USEFUL AS MEDICAMENTS | OM PHARMA SA (CH) | 2021-09-16 | — | — | WO | disclosed |