Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.65 |
| ▸ | THRB | P10828 | 1/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.55 |
| ▸ | CA12 | O43570 | 5/20 | 0.53 |
| ▸ | CA1 | P00915 | 5/20 | 0.53 |
| ▸ | CA2 | P00918 | 5/20 | 0.53 |
| ▸ | CA9 | Q16790 | 5/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | TYMP | P19971 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL8432208 | 0.84 | LMNA (0.50) | LMNATHRBCYP2C19CYP3A4CYP2D6 | |
| Etanidazole SCHEMBL4414 | 0.80 | LMNA (1.00) | LMNATHRBCYP2C19CYP3A4CYP2D6 | |
| Etanidazole SCHEMBL8171462 | 0.80 | LMNA (1.00) | LMNATHRBCYP2C19CYP3A4CYP2D6 | |
| SCHEMBL8483856 | 0.79 | LMNA (0.58) | LMNATHRBCYP2C19CYP3A4CYP2D6 | |
| SCHEMBL14499615 | 0.78 | LMNA (0.78) | LMNATHRBCYP2C19CYP3A4CYP2D6 | |
| Etanidazole SCHEMBL9473771 | 0.78 | LMNA (0.97) | LMNATHRBCYP2C19CYP3A4CYP2D6 | |
| SCHEMBL368130 | 0.78 | LMNA (0.78) | LMNATHRBCYP2C19CYP3A4CYP2D6 | |
| SCHEMBL8432165 | 0.78 | LMNA (0.78) | LMNATHRBCYP2C19CYP3A4CYP2D6 | |
| SCHEMBL15024639 | 0.77 | LMNA (0.80) | LMNATHRBCYP2C19CYP3A4CYP2D6 | |
| SCHEMBL13065838 | 0.76 | LMNA (0.74) | LMNATHRBCYP2C19CYP3A4CYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6004531-A | LIGANDS FOR RADIOPHARMACEUTICALS; CAPABLE OF CHELATING RADIOMETAL SPECIES AND OF BEING BOUND TO BIOLOGICAL TARGETING MOLECULES | NYCOMED AMERSHAM PLC (GB) | 1999-12-21 | — | — | US | disclosed |
| US-5932707-A | Thioether-containing metal chelating compounds | NYCOMED AMERSHAM PLC (GB) | 1999-08-03 | — | — | US | disclosed |
| WO-1994022816-A1 | METAL CHELATING COMPOUNDS | AMERSHAM INTERNATIONAL PLC (GB) | 1994-10-13 | — | — | WO | disclosed |
| EP-0618191-A1 | Metal chelating compounds | AMERSHAM INTERNATIONAL plc (GB) | 1994-10-05 | — | — | EP | disclosed |