Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | CA4 | P22748 | 2/20 | 0.53 |
| ▸ | CA6 | P23280 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | MAPKAPK2 | P49137 | 3/20 | 0.45 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.42 |
| ▸ | CDK1 | P06493 | 1/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10111840 | 0.84 | HTR2C (0.40) | CA1CA2CA4CA6HTR6 | |
| SCHEMBL904324 | 0.80 | CA1 (0.50) | CA1CA2CA4CA6ALDH1A1 | |
| SCHEMBL904332 | 0.74 | SLC6A2 (0.46) | ALDH1A1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL9146594 | 0.73 | CYP19A1 (0.63) | CA1CA2ALDH1A1ABCG2TSHR | |
| SCHEMBL5612189 | 0.70 | MAPKAPK2 (0.43) | ALDH1A1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL5708478 | 0.70 | CA1 (0.69) | CA1CA2CA4CA6MAPKAPK2 | |
| SCHEMBL7132711 | 0.70 | MAPK10 (0.64) | CA1CA2CA4CA6ALDH1A1 | |
| SCHEMBL5708473 | 0.69 | CA1 (0.55) | CA1CA2CA4CA6ALDH1A1 | |
| SCHEMBL8946305 | 0.69 | CA1 (0.73) | CA1CA2CA4CA6ALDH1A1 | |
| SCHEMBL12301264 | 0.69 | CA1 (0.78) | CA1CA2CA4CA6ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012041227-A1 | TETRACYCLIC HETEROCYCLE COMPOUNDS FOR TREATING HEPATITIS C VIRAL INFECTION | MERCK SHARP & DOHME CORP. (US) | 2012-04-05 | — | — | WO | disclosed |