Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | TYMS | P04818 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7712 | 1.00 | TSHR (0.43) | TSHRCYP3A4CA1CA2ALDH1A1 | |
| SCHEMBL29555130 | 1.00 | TSHR (0.43) | TSHRCYP3A4CA1CA2ALDH1A1 | |
| SCHEMBL29376031 | 1.00 | TSHR (0.43) | TSHRCYP3A4CA1CA2ALDH1A1 | |
| SCHEMBL27642275 | 1.00 | TSHR (0.43) | TSHRCYP3A4CA1CA2ALDH1A1 | |
| SCHEMBL17685497 | 1.00 | TSHR (0.43) | TSHRCYP3A4CA1CA2ALDH1A1 | |
| SCHEMBL27642594 | 1.00 | TSHR (0.43) | TSHRCYP3A4CA1CA2ALDH1A1 | |
| SCHEMBL27642281 | 1.00 | TSHR (0.43) | TSHRCYP3A4CA1CA2ALDH1A1 | |
| SCHEMBL23242208 | 0.98 | TSHR (0.41) | TSHRCYP3A4CA1CA2ALDH1A1 | |
| Methane SCHEMBL7753045 | 0.98 | TSHR (0.41) | TSHRCYP3A4CA1CA2ALDH1A1 | |
| Water SCHEMBL9418700 | 0.98 | CA1 (0.42) | TSHRCYP3A4CA1CA2ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0796855-A1 | Inhibitors of bone resorption and vitronectin receptor antagonists | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-09-24 | — | — | EP | disclosed |