Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | P4HA1 | P13674 | 3/20 | 0.41 |
| ▸ | P4HTM | Q9NXG6 | 2/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | MIF | P14174 | 1/20 | 0.39 |
| ▸ | GABRP | O00591 | 1/20 | 0.38 |
| ▸ | GABRD | O14764 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.38 |
| ▸ | GABRE | P78334 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8725907 | 0.72 | ALDH1A1 (0.47) | ALDH1A1HSD17B10KDM4EALOX15P4HA1 | |
| SCHEMBL4886683 | 0.70 | ALDH1A1 (0.58) | ALDH1A1HSD17B10KDM4EALOX15P4HA1 | |
| SCHEMBL31492024 | 0.69 | ALDH1A1 (0.42) | ALDH1A1KDM4ETRPA1LMNAALOX5 | |
| SCHEMBL6276362 | 0.68 | KDM4E (0.32) | ALDH1A1KDM4ETRPA1LMNAALOX5 | |
| SCHEMBL6758070 | 0.67 | ALDH1A1 (0.61) | ALDH1A1HSD17B10KDM4EALOX15POLB | |
| SCHEMBL6758071 | 0.67 | ALDH1A1 (0.61) | ALDH1A1HSD17B10KDM4EALOX15POLB | |
| SCHEMBL3705899 | 0.66 | ALDH1A1 (0.54) | ALDH1A1HSD17B10KDM4EALOX15P4HA1 | |
| SCHEMBL185448 | 0.66 | ALDH1A1 (0.54) | ALDH1A1HSD17B10KDM4EALOX15P4HA1 | |
| SCHEMBL27507719 | 0.64 | TRPA1 (0.31) | ALDH1A1HCAR2TRPA1LMNAALOX5 | |
| SCHEMBL16749632 | 0.64 | ALDH1A1 (0.52) | ALDH1A1HSD17B10KDM4EALOX15P4HA1 |
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-2018140578-A1 | NON-FULLERENE SOLAR PANEL ACCEPTOR COMPOUNDS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2018-08-02 | — | — | WO | disclosed |