Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | PAOX | Q6QHF9 | 2/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | GBA1 | P04062 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL9732006 | 0.81 | PAOX (0.52) | TSHRALDH1A1PAOXKDM4EMAPK1 | |
| SCHEMBL18738640 | 0.80 | TSHR (0.39) | TSHRALDH1A1HPGDKMT2ASMN1; SMN2 | |
| Ammonia Solution, Strong SCHEMBL9732392 | 0.80 | PAOX (0.50) | TSHRALDH1A1PAOXKDM4EMAPK1 | |
| SCHEMBL24244862 | 0.79 | TSHR (1.00) | TSHRALDH1A1PAOXMTNR1AMTNR1B | |
| SCHEMBL26783463 | 0.79 | TSHR (0.67) | TSHRALDH1A1PAOXMTNR1AMTNR1B | |
| SCHEMBL18023517 | 0.78 | HPGD (0.49) | TSHRALDH1A1KDM4EHPGDKMT2A | |
| SCHEMBL43340 | 0.77 | — | — | |
| Bromide SCHEMBL5490790 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL6045196 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL9178426 | 0.74 | — | — |
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 |