Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 11/20 | 0.38 |
| ▸ | CA12 | O43570 | 10/20 | 0.38 |
| ▸ | CA1 | P00915 | 10/20 | 0.38 |
| ▸ | CA6 | P23280 | 10/20 | 0.38 |
| ▸ | CA7 | P43166 | 10/20 | 0.38 |
| ▸ | CA13 | Q8N1Q1 | 10/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | RARB | P10826 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19705590 | 0.79 | CA12 (0.43) | CA2CA12CA1CA6CA7 | |
| SCHEMBL7981940 | 0.75 | KCNH2 (0.35) | CA2CA12CA1CA6CA7 | |
| SCHEMBL2860872 | 0.72 | TDP1 (0.39) | CA2ALDH1A1TDP1MEN1KMT2A | |
| SCHEMBL19243076 | 0.72 | SMN1; SMN2 (0.42) | KCNH2ALDH1A1MEN1KMT2AHASPIN | |
| SCHEMBL16935023 | 0.71 | CA1 (0.38) | CA2CA12CA1CA6CA7 | |
| SCHEMBL19597423 | 0.70 | MAPT (0.39) | ALDH1A1TDP1MEN1KMT2AHASPIN | |
| SCHEMBL8628387 | 0.70 | HSD17B10 (0.44) | CA2CA12CA1CA6CA7 | |
| SCHEMBL5740030 | 0.68 | MAPT (0.47) | ALDH1A1MEN1KMT2AKDM4EMAPT | |
| SCHEMBL6302512 | 0.68 | ALDH1A1 (0.47) | ALDH1A1TDP1KDM4EMAPT | |
| SCHEMBL16935003 | 0.68 | ALDH1A1 (0.33) | ALDH1A1MEN1KMT2AHASPINMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3097101-A1 | ISOQUINOLINE DERIVATIVES AS MGAT2 INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-11-30 | — | — | EP | disclosed |
| WO-2015112465-A1 | ISOQUINOLINE DERIVATIVES AS MGAT2 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-07-30 | — | — | WO | disclosed |