Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1863099 | 0.85 | F2 (0.37) | POLBALDH1A1CYP3A4GAAKDM4E | |
| SCHEMBL5508653 | 0.76 | ALDH1A1 (0.47) | POLBALDH1A1GAAMAPTKMT2A | |
| SCHEMBL17205742 | 0.74 | ALDH1A1 (0.51) | ALDH1A1CYP3A4KMT2ACA2CA12 | |
| SCHEMBL5509407 | 0.73 | CYP2C19 (0.32) | — | |
| SCHEMBL17205595 | 0.72 | ALDH1A1 (0.53) | ALDH1A1CYP3A4GAAKMT2ACA2 | |
| SCHEMBL17206111 | 0.71 | ALDH1A1 (0.51) | ALDH1A1CYP3A4KMT2ACA2CA12 | |
| SCHEMBL17206047 | 0.69 | ALDH1A1 (0.53) | ALDH1A1CYP3A4GAAKMT2ACA2 | |
| SCHEMBL3497447 | 0.69 | SMN1; SMN2 (0.41) | POLBALDH1A1CYP3A4GAAKDM4E | |
| SCHEMBL9466282 | 0.67 | KMT2A (0.45) | ALDH1A1CYP3A4GAAKMT2ACA12 | |
| SCHEMBL1863742 | 0.67 | TSHR (0.42) | ALDH1A1CYP3A4KMT2ACA2CA12 |
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-1807078-A1 | DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2007-07-18 | — | — | EP | disclosed |
| WO-2006042150-A1 | DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2006-04-20 | — | — | WO | disclosed |