Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP2 | O95551 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SRD5A2 | P31213 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | IP6K1 | Q92551 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.33 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5020086 | 0.81 | CALCRL (0.36) | — | |
| SCHEMBL13671177 | 0.73 | RAMP1 (0.34) | — | |
| SCHEMBL5020147 | 0.71 | CALCRL (0.34) | — | |
| SCHEMBL261191 | 0.70 | BACE1 (0.44) | TDP2ALDH1A1SRD5A2KDM4EMAPT | |
| SCHEMBL7030609 | 0.69 | CALCRL (0.51) | — | |
| SCHEMBL1815456 | 0.69 | CALCRL (0.51) | — | |
| SCHEMBL29996226 | 0.69 | CALCRL (0.51) | — | |
| SCHEMBL19718094 | 0.67 | KDM4E (0.43) | TDP2ALDH1A1SRD5A2KDM4EMAPT | |
| SCHEMBL19718097 | 0.67 | KDM4E (0.43) | TDP2ALDH1A1SRD5A2KDM4EMAPT | |
| SCHEMBL19718109 | 0.67 | KDM4E (0.43) | TDP2ALDH1A1SRD5A2KDM4EMAPT |
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-2012087777-A1 | FUSED HETEROCYCLIC INDANE CARBOXAMIDE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-06-28 | — | — | WO | disclosed |