Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 2/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | XBP1 | P17861 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17591381 | 0.82 | ALDH1A1 (0.42) | CASP3ALDH1A1TDP1PDE4APDE4B | |
| SCHEMBL5514759 | 0.79 | TDP1 (0.53) | CASP3ALDH1A1TDP1PDE4APDE4B | |
| SCHEMBL5514761 | 0.79 | TDP1 (0.53) | CASP3ALDH1A1TDP1PDE4APDE4B | |
| SCHEMBL12197537 | 0.78 | CASP3 (0.46) | CASP3ALDH1A1TDP1LMNAKDM4E | |
| SCHEMBL16558903 | 0.78 | CASP3 (0.46) | CASP3ALDH1A1TDP1LMNAKDM4E | |
| SCHEMBL5999905 | 0.75 | TDP1 (0.39) | CASP3ALDH1A1TDP1PDE4APDE4B | |
| SCHEMBL13937945 | 0.74 | TDP1 (0.46) | CASP3ALDH1A1TDP1MAPTLMNA | |
| SCHEMBL13937924 | 0.74 | TDP1 (0.46) | CASP3ALDH1A1TDP1MAPTLMNA | |
| SCHEMBL2507608 | 0.74 | ALDH1A1 (0.36) | CASP3ALDH1A1TDP1MAPTNPSR1 | |
| SCHEMBL15320020 | 0.74 | ALDH1A1 (0.36) | CASP3ALDH1A1TDP1MAPTNPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7173059-B2 | Intermediates useful in the synthesis of HIV-protease inhibitors and methods for preparing the same | AGOURON PHARMACEUTICALS, INC. (US) | 2007-02-06 | — | — | US | disclosed |
| US-7173059-B2 | Intermediates useful in the synthesis of HIV-protease inhibitors and methods for preparing the same | AGOURON PHARMACEUTICALS, INC. (US) | 2007-02-06 | — | — | US | disclosed |