Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | TTR | P02766 | 1/20 | 0.54 |
| ▸ | APP | P05067 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 5/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | TYR | P14679 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6168986 | 1.00 | ALDH1A1 (0.57) | ALDH1A1LMNAHPGDTTRAPP | |
| SCHEMBL6986144 | 0.86 | TTR (0.58) | ALDH1A1LMNAHPGDTTRAPP | |
| SCHEMBL6986141 | 0.86 | TTR (0.58) | ALDH1A1LMNAHPGDTTRAPP | |
| SCHEMBL29913976 | 0.86 | APP (0.66) | ALDH1A1LMNAHPGDTTRAPP | |
| SCHEMBL832781 | 0.84 | MAPT (0.61) | ALDH1A1LMNAHPGDTTRAPP | |
| SCHEMBL18046810 | 0.84 | TTR (0.52) | ALDH1A1LMNAHPGDTTRAPP | |
| SCHEMBL358099 | 0.84 | TUBB4A (0.63) | ALDH1A1LMNAHPGDTTRAPP | |
| SCHEMBL2842776 | 0.84 | TTR (0.52) | ALDH1A1LMNATTRAPPMAPT | |
| SCHEMBL832780 | 0.84 | MAPT (0.61) | ALDH1A1LMNAHPGDTTRAPP | |
| SCHEMBL8237371 | 0.84 | TTR (0.52) | ALDH1A1LMNAHPGDTTRAPP |
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-1045833-B1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER (US) | 2005-11-02 | — | — | EP | disclosed |