Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALPL | P05186 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.39 |
| ▸ | DYRK2 | Q92630 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9731110 | 0.85 | PDE4D (0.48) | SMN1; SMN2NPC1RAB9AKDM4EALPL | |
| SCHEMBL5517722 | 0.84 | CYP1A2 (0.50) | SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL6641758 | 0.81 | SMN1; SMN2 (0.45) | SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL20995459 | 0.76 | KDM4E (0.41) | SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL11001241 | 0.76 | SMN1; SMN2 (0.41) | SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL5281969 | 0.76 | SMN1; SMN2 (0.41) | SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL9732523 | 0.76 | ALDH1A1 (0.41) | SMN1; SMN2NPC1RAB9AKDM4EALPL | |
| SCHEMBL3370056 | 0.75 | L3MBTL1 (0.52) | SMN1; SMN2RAB9AKDM4EALPLTDP1 | |
| SCHEMBL29388428 | 0.75 | KDM4E (0.44) | SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL3645535 | 0.75 | KDM4E (0.44) | SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1496838-A4 | SUBSTITUTED AMIDES | MERCK & CO INC (US) | 2008-07-02 | — | — | EP | claimed |
| EP-1496838-A2 | SUBSTITUTED AMIDES | Merck & Co., Inc. (US) | 2005-01-19 | — | — | EP | claimed |
| WO-2003077847-A2 | SUBSTITUTED AMIDES | MERCK & CO., INC. (US) | 2003-09-25 | — | — | WO | claimed |
| EP-1496838-A4 | SUBSTITUTED AMIDES | MERCK & CO INC (US) | 2008-07-02 | — | — | EP | disclosed |
| EP-1496838-A2 | SUBSTITUTED AMIDES | Merck & Co., Inc. (US) | 2005-01-19 | — | — | EP | disclosed |
| WO-2003077847-A2 | SUBSTITUTED AMIDES | MERCK & CO., INC. (US) | 2003-09-25 | — | — | WO | disclosed |