Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | CPB1 | P15086 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | CTSB | P07858 | 1/20 | 0.45 |
| ▸ | CTSK | P43235 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3744086 | 1.00 | ALDH1A1 (0.56) | ALDH1A1GAACPB1TSHRCYP1A2 | |
| SCHEMBL7114434 | 1.00 | ALDH1A1 (0.56) | ALDH1A1GAACPB1TSHRCYP1A2 | |
| SCHEMBL13198668 | 1.00 | ALDH1A1 (0.56) | ALDH1A1GAACPB1TSHRCYP1A2 | |
| SCHEMBL6027318 | 1.00 | ALDH1A1 (0.56) | ALDH1A1GAACPB1TSHRCYP1A2 | |
| SCHEMBL417696 | 1.00 | ALDH1A1 (0.56) | ALDH1A1GAACPB1TSHRCYP1A2 | |
| SCHEMBL4261374 | 0.90 | ALDH1A1 (0.58) | ALDH1A1GAACPB1TSHREPHX1 | |
| SCHEMBL4261378 | 0.90 | ALDH1A1 (0.58) | ALDH1A1GAACPB1TSHREPHX1 | |
| SCHEMBL4083202 | 0.90 | ALDH1A1 (0.58) | ALDH1A1GAACPB1TSHREPHX1 | |
| SCHEMBL5029572 | 0.89 | TSHR (0.57) | ALDH1A1GAACPB1TSHREPHX1 | |
| SCHEMBL5029578 | 0.89 | TSHR (0.57) | ALDH1A1GAACPB1TSHREPHX1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1480635-A4 | MACROCYCLIC MODULE COMPOSITIONS | COVALENT PARTNERS LLC (US) | 2005-06-29 | — | — | EP | disclosed |
| EP-1480635-A2 | MACROCYCLIC MODULE COMPOSITIONS | Covalent Partners, LLC (US) | 2004-12-01 | — | — | EP | disclosed |
| WO-2003066646-A2 | MACROCYCLIC MODULE COMPOSITIONS | COVALENT PARTNERS, LLC (US) | 2003-08-14 | — | — | WO | disclosed |