Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 1/20 | 0.44 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.41 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.41 |
| ▸ | RARA | P10276 | 1/20 | 0.40 |
| ▸ | RARB | P10826 | 1/20 | 0.40 |
| ▸ | RARG | P13631 | 1/20 | 0.40 |
| ▸ | ACE2 | Q9BYF1 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL2234436 | 0.85 | FOLH1 (0.44) | TTRRARARARBRARGACE2 | |
| SCHEMBL27825582 | 0.85 | TTR (0.44) | TTRAGTR1AGTR2ACE2KDM4E | |
| SCHEMBL1174421 | 0.85 | ACE2 (0.49) | TTRAGTR1AGTR2RARBRARG | |
| SCHEMBL29793345 | 0.85 | ACE2 (0.49) | TTRAGTR1AGTR2RARBRARG | |
| SCHEMBL9643977 | 0.84 | TTR (0.42) | TTRAGTR1AGTR2ACE2KDM4E | |
| SCHEMBL11509525 | 0.84 | AGTR1 (0.49) | TTRAGTR1AGTR2RARBKDM4E | |
| SCHEMBL27885537 | 0.82 | TSHR (0.44) | RARARARBRARGACE2KDM4E | |
| SCHEMBL3576069 | 0.81 | ALDH1A1 (0.50) | TTRAGTR1AGTR2ACE2KDM4E | |
| SCHEMBL928246 | 0.81 | TTR (0.47) | TTRAGTR1AGTR2ACE2KDM4E | |
| SCHEMBL6987717 | 0.80 | TTR (0.39) | TTRAGTR1AGTR2ACE2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-105198743-A | Synthesis method for 3-bromine-4-(methylol)methyl benzoate | SHANGHAI RAINBOW CHEMISTRY CO LTD | 2015-12-30 | — | — | CN | disclosed |
| CN-105198743-A | Synthesis method for 3-bromine-4-(methylol)methyl benzoate | SHANGHAI RAINBOW CHEMISTRY CO LTD | 2015-12-30 | — | — | CN | disclosed |