Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | DRD4 | P21917 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10792419 | 0.83 | MAOB (0.37) | ALDH1A1TSHRFAAHKDM4EMEN1 | |
| SCHEMBL6222183 | 0.82 | CARM1 (0.38) | TDP1ALDH1A1KDM4E | |
| SCHEMBL11052326 | 0.81 | ALDH1A1 (0.36) | L3MBTL1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL9661057 | 0.79 | ADRB1 (0.48) | CYP1A2CYP2D6ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL21775617 | 0.78 | ADRB1 (0.45) | CYP1A2CYP2D6ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL20553012 | 0.77 | LTA4H (0.36) | CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E | |
| SCHEMBL11095900 | 0.76 | KDM4E (0.40) | CYP1A2CYP2D6FAAHKDM4EMEN1 | |
| SCHEMBL21775493 | 0.76 | KMT2A (0.41) | ALDH1A1MEN1KMT2A | |
| SCHEMBL11130584 | 0.75 | LMNA (0.52) | CYP1A2CYP2C19L3MBTL1SMN1; SMN2MEN1 | |
| Hydrochloric Acid SCHEMBL13737656 | 0.75 | SIGMAR1 (0.41) | DRD2DRD4DRD3ALDH1A1SMN1; SMN2 |
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-0129189-A2 | Renin inhibitors containing a C-terminal amide cycle and compositions and combinations containing the same | MERCK & CO. INC. (US) | 1984-12-27 | — | — | EP | claimed |
| EP-0468998-A1 | PEPTIDES HAVING NOVEL POLAR N-TERMINAL GROUPS | THE UPJOHN COMPANY (US) | 1992-02-05 | — | — | EP | disclosed |