Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.42 |
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.42 |
| ▸ | CA7 | P43166 | 4/20 | 0.42 |
| ▸ | CA9 | Q16790 | 4/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | JAK3 | P52333 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5724654 | 0.81 | LMNA (0.50) | ALDH1A1SMN1; SMN2ALOX5LMNAHPGD | |
| SCHEMBL6633777 | 0.78 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4464289 | 0.78 | CA12 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8536318 | 0.72 | CA2 (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6180951 | 0.71 | NPC1 (0.43) | ALDH1A1SMN1; SMN2KMT2AMEN1LMNA | |
| SCHEMBL18886844 | 0.71 | GAA (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9449120 | 0.69 | ESR1 (0.66) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3917643 | 0.68 | ALDH1A1 (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL903983 | 0.67 | ESR1 (0.89) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9175928 | 0.67 | CA12 (0.56) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1685125-B1 | Pyrrole derivatives useful for the treatment of proliferative diseases | MERCK PATENT GMBH (DE) | 2012-06-06 | — | — | EP | disclosed |
| EP-1685125-A1 | PYRROL DERIVATIVES | MERCK PATENT GmbH (DE) | 2006-08-02 | — | — | EP | disclosed |
| WO-2005049603-A1 | PYRROL DERIVATIVES | MERCK PATENT GMBH (DE) | 2005-06-02 | — | — | WO | disclosed |