Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TTR | P02766 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | TYR | P14679 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9225390 | 1.00 | HCAR2 (0.50) | HCAR2NFE2L2KEAP1ALDH1A1ALOX15 | |
| SCHEMBL1479350 | 0.81 | — | — | |
| SCHEMBL212257 | 0.77 | HCAR2 (0.55) | HCAR2NFE2L2KEAP1ALDH1A1ALOX15 | |
| SCHEMBL16356167 | 0.77 | HCAR2 (0.55) | HCAR2NFE2L2KEAP1ALDH1A1ALOX15 | |
| SCHEMBL1870774 | 0.77 | HCAR2 (0.55) | HCAR2NFE2L2KEAP1ALDH1A1ALOX15 | |
| SCHEMBL19730845 | 0.77 | HCAR2 (0.55) | HCAR2NFE2L2KEAP1ALDH1A1ALOX15 | |
| SCHEMBL26699378 | 0.77 | HCAR2 (0.55) | HCAR2NFE2L2KEAP1ALDH1A1ALOX15 | |
| SCHEMBL30940028 | 0.74 | HCAR2 (0.50) | HCAR2NFE2L2KEAP1ALDH1A1ALOX15 | |
| SCHEMBL1583045 | 0.74 | — | — | |
| SCHEMBL10054177 | 0.72 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5464832-A | Water systems | ROHM AND HAAS COMPANY (US) | 1995-11-07 | — | — | US | disclosed |
| US-5302592-A | Fungicides, bactericides, algicides and viricides; yeasts | ROHM AND HAAS COMPANY (US) | 1994-04-12 | — | — | US | disclosed |