Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | TYR | P14679 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL973947 | 1.00 | TTR (0.44) | TTRAPPCA12CA1CA2 | |
| SCHEMBL12919403 | 0.81 | GLA (0.40) | APPTYRALDH1A1KDM4EMAPT | |
| SCHEMBL1904084 | 0.80 | KCNA3 (0.46) | TTRAPPCA12CA1CA2 | |
| SCHEMBL1904086 | 0.80 | KCNA3 (0.46) | TTRAPPCA12CA1CA2 | |
| SCHEMBL4081161 | 0.80 | KCNA3 (0.46) | TTRAPPCA12CA1CA2 | |
| SCHEMBL3400369 | 0.80 | HCAR2 (0.46) | TTRAPPCA12CA1CA2 | |
| SCHEMBL3400374 | 0.80 | HCAR2 (0.46) | TTRAPPCA12CA1CA2 | |
| SCHEMBL4395717 | 0.79 | TTR (0.41) | TTRAPPCA12CA1CA2 | |
| SCHEMBL4395722 | 0.79 | TTR (0.41) | TTRAPPCA12CA1CA2 | |
| SCHEMBL12781027 | 0.79 | TUBB4A (0.49) | TTRAPPCA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2300430-A1 | BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR | R-Tech Ueno, Ltd. (JP) | 2011-03-30 | — | — | EP | disclosed |