Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.36 |
| ▸ | USP2 | O75604 | 5/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4070868 | 0.74 | CYP3A4 (0.38) | TSHRCYP2D6CYP1A2USP2CYP3A4 | |
| SCHEMBL2439391 | 0.72 | CYP1A2 (0.43) | TSHRCYP2D6CYP1A2USP2CYP3A4 | |
| SCHEMBL4958163 | 0.72 | CA2 (0.39) | TSHRUSP2ALDH1A1HSD17B10GABRD | |
| Hydrochloric Acid SCHEMBL2434750 | 0.71 | CYP1A2 (0.42) | TSHRCYP2D6CYP1A2USP2CYP3A4 | |
| SCHEMBL4072608 | 0.71 | HRH3 (0.38) | — | |
| SCHEMBL16599870 | 0.70 | CYP2D6 (0.43) | TSHRCYP2D6CYP1A2USP2CYP3A4 | |
| SCHEMBL28302693 | 0.70 | CA2 (0.38) | TSHRUSP2ALDH1A1HSD17B10GABRD | |
| SCHEMBL19992841 | 0.68 | CYP2D6 (0.41) | TSHRCYP2D6CYP1A2USP2CYP3A4 | |
| SCHEMBL4066096 | 0.68 | USP2 (0.38) | TSHRCYP2D6CYP1A2USP2CYP3A4 | |
| SCHEMBL4073023 | 0.68 | GRM5 (0.40) | TSHRCYP2D6CYP1A2USP2CYP3A4 |
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-2032535-A1 | SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS | Sanofi-Aventis (FR) | 2009-03-11 | — | — | EP | claimed |
| WO-2007137738-A1 | SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS | SANOFI-AVENTIS (DE) | 2007-12-06 | — | — | WO | claimed |