Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | ATM | Q13315 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | CFTR | P13569 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 4/20 | 0.31 |
| ▸ | LMNA | P02545 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9126683 | 0.81 | ABL1 (0.38) | ALDH1A1CA1CA2CA9KDM4E | |
| SCHEMBL4580139 | 0.78 | — | — | |
| SCHEMBL4346537 | 0.77 | NR1H4 (0.41) | ALDH1A1CA1CA2CA9CA5A | |
| SCHEMBL7517437 | 0.73 | CA1 (0.36) | ALDH1A1CA1CA2CA9CA5A | |
| SCHEMBL7517349 | 0.72 | KDM4E (0.37) | ALDH1A1CA1CA2CA9KDM4E | |
| SCHEMBL4330973 | 0.72 | ABL1 (0.38) | ALDH1A1CA1CA2CA9KDM4E | |
| SCHEMBL7924691 | 0.70 | RXRA (0.40) | ALDH1A1KDM4EHPGDNPSR1CFTR | |
| SCHEMBL7801806 | 0.69 | KIF11 (0.39) | ALDH1A1CA1CA2CA9KDM4E | |
| SCHEMBL336062 | 0.69 | NR1H4 (0.36) | ALDH1A1KDM4EHPGDTSHRMAPK1 | |
| SCHEMBL8680470 | 0.68 | KIF11 (0.41) | ALDH1A1CA1CA2CA9KDM4E |
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-2007134421-A1 | 2-VINYL INDOLES, PYRIDO AND AZEPINO INDOLE DERIVATIVES, 2-ALKYNYL INDOLES, 2-ALKYNYL BENZO[b]FURANS, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF | LAUTENS MARK (CA) | 2007-11-29 | — | — | WO | disclosed |