Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9273756 | 1.00 | TSHR (0.36) | TSHRALDH1A1CYP3A4ACHEHPGD | |
| SCHEMBL8930727 | 0.89 | ALDH1A1 (0.35) | ALDH1A1CYP3A4ACHEHPGDCA12 | |
| SCHEMBL7514564 | 0.86 | TSHR (0.45) | TSHRALDH1A1CYP3A4ACHEHPGD | |
| SCHEMBL8930686 | 0.79 | TSHR (0.56) | TSHRALDH1A1 | |
| SCHEMBL8930693 | 0.74 | ALDH1A1 (0.38) | TSHRALDH1A1CYP3A4ACHEHPGD | |
| SCHEMBL8930717 | 0.73 | ALDH1A1 (0.39) | ALDH1A1CYP3A4HPGDCA12CA1 | |
| SCHEMBL8930639 | 0.73 | TSHR (0.41) | TSHR | |
| SCHEMBL8930676 | 0.71 | PTPN1 (0.33) | ALDH1A1 | |
| SCHEMBL8930705 | 0.71 | ALDH1A1 (0.33) | ALDH1A1CYP3A4ACHECA12CA1 | |
| SCHEMBL7514575 | 0.70 | CYP3A4 (0.45) | TSHRALDH1A1CYP3A4HPGDCA12 |
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-5599522-A | CONTRAST ENHANCING AGENTS | NYCOMED IMAGING AS (NO) | 1997-02-04 | — | — | US | disclosed |
| EP-0515458-B1 | TRIARYLMETHYL RADICALS AND THE USE OF INERT CARBON FREE RADICALS IN MRI | NYCOMED INNOVATION AB (SE) | 1995-08-23 | — | — | EP | disclosed |
| EP-0515458-A1 | TRIARYLMETHYL RADICALS AND THE USE OF INERT CARBON FREE RADICALS IN MRI. | HAFSLUND NYCOMED INNOVATION (SE) | 1992-12-02 | — | — | EP | disclosed |
| WO-1991012024-A1 | TRIARYLMETHYL RADICALS AND THE USE OF INERT CARBON FREE RADICALS IN MRI | HAFSLUND NYCOMED INNOVATION AB (SE) | 1991-08-22 | — | — | WO | disclosed |