Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5434286 | 1.00 | CYP3A4 (0.39) | CYP3A4CYP2D6USP2ALDH1A1LMNA | |
| SCHEMBL6845995 | 1.00 | CYP3A4 (0.39) | CYP3A4CYP2D6USP2ALDH1A1LMNA | |
| SCHEMBL5432940 | 1.00 | CYP3A4 (0.39) | CYP3A4CYP2D6USP2ALDH1A1LMNA | |
| SCHEMBL5437913 | 1.00 | CYP3A4 (0.39) | CYP3A4CYP2D6USP2ALDH1A1LMNA | |
| SCHEMBL5436464 | 1.00 | CYP3A4 (0.39) | CYP3A4CYP2D6USP2ALDH1A1LMNA | |
| SCHEMBL5445647 | 0.90 | USP2 (0.42) | CYP3A4CYP2D6USP2ALDH1A1LMNA | |
| SCHEMBL4755518 | 0.90 | USP2 (0.42) | CYP3A4CYP2D6USP2ALDH1A1LMNA | |
| SCHEMBL4755521 | 0.90 | USP2 (0.42) | CYP3A4CYP2D6USP2ALDH1A1LMNA | |
| SCHEMBL4755526 | 0.90 | USP2 (0.42) | CYP3A4CYP2D6USP2ALDH1A1LMNA | |
| SCHEMBL5443186 | 0.86 | CYP2D6 (0.39) | CYP3A4CYP2D6USP2ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007090661-A2 | ACTIVE SUBSTANCE COMBINATION COMPRISING AZOLYLCARBINOL COMPOUNDS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-08-16 | — | — | WO | disclosed |
| CN-1138755-C | Cyclic amino acids and derivatives thereof as pharmaceuticals | ��ʲ | 2004-02-18 | — | — | CN | disclosed |