Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 5/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | TACR1 | P25103 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL4639457 | 0.92 | USP2 (0.35) | USP2CYP3A4TSHRHIF1ASMN1; SMN2 | |
| SCHEMBL4638484 | 0.85 | AKR1C3 (0.35) | USP2TSHRSMN1; SMN2CYP2D6TACR1 | |
| SCHEMBL4638914 | 0.84 | ALDH1A1 (0.43) | TSHRSMN1; SMN2TACR1ALDH1A1GAA | |
| SCHEMBL4638581 | 0.84 | USP2 (0.38) | USP2CYP3A4TSHRHIF1ASMN1; SMN2 | |
| SCHEMBL4639435 | 0.82 | USP2 (0.37) | USP2CYP3A4TSHRHIF1ASMN1; SMN2 | |
| SCHEMBL5632871 | 0.79 | USP2 (0.36) | USP2CYP3A4TSHRHIF1ASMN1; SMN2 | |
| SCHEMBL4637872 | 0.78 | USP2 (0.36) | USP2CYP3A4TSHRCYP2D6TACR1 | |
| SCHEMBL4708145 | 0.76 | AKR1C3 (0.36) | USP2TSHRSMN1; SMN2CYP2D6TACR1 | |
| SCHEMBL4637749 | 0.76 | ALDH1A1 (0.53) | USP2CYP3A4TSHRHIF1ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL5794894 | 0.75 | ALDH1A1 (0.52) | USP2CYP3A4TSHRHIF1ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1501808-B1 | TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-07-02 | — | — | EP | disclosed |