Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 5/20 | 0.45 |
| ▸ | CA1 | P00915 | 5/20 | 0.45 |
| ▸ | CA2 | P00918 | 5/20 | 0.45 |
| ▸ | CA7 | P43166 | 5/20 | 0.45 |
| ▸ | CA9 | Q16790 | 5/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11195139 | 0.87 | KMT2A (0.49) | HTTCA12CA1CA2CA7 | |
| SCHEMBL11064802 | 0.82 | CA12 (0.41) | HTTATML3MBTL1CA12CA1 | |
| SCHEMBL11355497 | 0.78 | KMT2A (0.50) | HTTCA12CA1CA2CA7 | |
| SCHEMBL21408332 | 0.78 | NPSR1 (0.45) | L3MBTL1CA12CA1CA2CA7 | |
| SCHEMBL256764 | 0.78 | ALDH1A1 (0.49) | KMT2ACYP3A4SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL21428060 | 0.74 | ALDH1A1 (0.43) | L3MBTL1CA12CA1CA2CA7 | |
| SCHEMBL11065716 | 0.73 | ALDH1A1 (0.43) | HTTATML3MBTL1KMT2ASMN1; SMN2 | |
| SCHEMBL11063339 | 0.72 | RXRA (0.43) | HTTL3MBTL1KMT2ATDP1LMNA | |
| SCHEMBL21266562 | 0.72 | RAB9A (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11062777 | 0.72 | CA12 (0.45) | CA12CA1CA2CA7CA9 |
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-4440779-A | Tricyclic derivatives of substituted pyrrole acids as analgesic and anti-inflammatory agents | MERCK & CO., INC. (US) | 1984-04-03 | — | — | US | disclosed |
| EP-0068460-A1 | Tricyclic derivatives of substituted pyrrole acids as analgesic and anti-inflammatory agents | MERCK & CO. INC. (US) | 1983-01-05 | — | — | EP | disclosed |