Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL7819425 | 0.98 | CYP19A1 (0.36) | CYP19A1TSHRMAPK1ALDH1A1KDM4E | |
| SCHEMBL7817474 | 0.94 | ALDH1A1 (0.35) | CYP19A1TSHRMAPK1ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL28132629 | 0.92 | ALDH1A1 (0.34) | CYP19A1TSHRMAPK1ALDH1A1SMN1; SMN2 | |
| SCHEMBL7819937 | 0.90 | ALDH1A1 (0.37) | TSHRMAPK1ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL27956457 | 0.82 | TSHR (0.36) | TSHRMAPK1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL15286438 | 0.81 | KDM4E (0.35) | ALDH1A1KDM4ESMN1; SMN2BCHEACHE | |
| SCHEMBL23089454 | 0.79 | SCN1A (0.47) | ALDH1A1KDM4ESMN1; SMN2LMNABCHE | |
| SCHEMBL27848372 | 0.79 | TSHR (0.32) | TSHRMAPK1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL12175395 | 0.79 | CYP19A1 (0.40) | CYP19A1ALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL27961248 | 0.78 | ALDH1A1 (0.32) | ALDH1A1SMN1; SMN2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-7592419-B2 | Macrocyclic inhibitors of hepatitis C virus NS3-serine protease | SCHERING CORPORATION (US) | 2009-09-22 | — | — | US | disclosed |