Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.45 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | MMP14 | P50281 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1287190 | 0.83 | ALDH1A1 (0.50) | ALDH1A1MAPK1HSD17B10TDP1CYP1A2 | |
| Bromide SCHEMBL30083679 | 0.80 | ALDH1A1 (0.47) | ALDH1A1MAPK1HSD17B10TDP1CYP1A2 | |
| SCHEMBL13842150 | 0.80 | PTPN1 (0.47) | ALDH1A1PTPN1PTPN11MAPK1TAAR1 | |
| SCHEMBL28610810 | 0.80 | PTPN1 (0.47) | ALDH1A1PTPN1PTPN11TAAR1CYP1A2 | |
| SCHEMBL8896647 | 0.78 | ALDH1A1 (0.41) | ALDH1A1PTPN1PTPN11MAPK1HSD17B10 | |
| SCHEMBL428698 | 0.75 | ALDH1A1 (0.71) | ALDH1A1PTPN1PTPN11MAPK1HSD17B10 | |
| SCHEMBL4554396 | 0.75 | ALDH1A1 (0.71) | ALDH1A1PTPN1PTPN11MAPK1HSD17B10 | |
| SCHEMBL21514977 | 0.75 | ALDH1A1 (0.71) | ALDH1A1PTPN1PTPN11MAPK1HSD17B10 | |
| SCHEMBL5370467 | 0.75 | ALDH1A1 (0.71) | ALDH1A1PTPN1PTPN11MAPK1HSD17B10 | |
| SCHEMBL10034432 | 0.75 | ALDH1A1 (0.71) | ALDH1A1PTPN1PTPN11MAPK1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-6797497-B1 | USED TO BREAKDOWN ORGANIC COMPOUNDS INTO MORE CELL BIOMASS AND LESS COMPLEX COMPOUNDS USING HYDROXYLAMINOBENZENE MUTASE; COMPRISES NITROREDUCTASES | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE | 2004-09-28 | — | — | US | disclosed |