Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | CRHR1 | P34998 | 6/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13603540 | 0.75 | ALDH1A1 (0.60) | KDM4EADORA2AALDH1A1LMNAGAA | |
| SCHEMBL6971750 | 0.75 | CRHR1 (0.45) | KDM4ECYP1A2CYP2A6CRHR1ADORA2A | |
| SCHEMBL30831218 | 0.72 | KDM4E (0.47) | KDM4EADORA2AADORA1BACE1ALDH1A1 | |
| SCHEMBL221530 | 0.72 | KDM4E (1.00) | KDM4EBACE1ALDH1A1LMNATSHR | |
| SCHEMBL31416835 | 0.72 | KDM4E (1.00) | KDM4EBACE1ALDH1A1LMNATSHR | |
| SCHEMBL2019659 | 0.71 | CRHR1 (0.51) | CRHR1 | |
| SCHEMBL2024209 | 0.71 | CRHR1 (0.41) | KDM4ECRHR1ALDH1A1LMNAMAPT | |
| SCHEMBL2021062 | 0.70 | SMO (0.52) | ALDH1A1LMNAMAPTNPSR1 | |
| SCHEMBL2016765 | 0.70 | GABRA1 (0.46) | KDM4ECRHR1ALDH1A1LMNATSHR | |
| SCHEMBL31132418 | 0.70 | KDM4E (0.65) | KDM4EADORA2AADORA1ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0946520-B1 | ISOQUINOLINAMINE AND PHTHALAZINAMINE DERIVATIVES WHICH INTERACT WITH CRF RECEPTORS | NEUROGEN CORP (US) | 2003-04-02 | — | — | EP | claimed |