Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 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 | |
|---|---|---|---|---|
| SCHEMBL7132594 | 0.92 | TSHR (0.41) | THRBTSHRALDH1A1CYP19A1EPHX2 | |
| SCHEMBL10150627 | 0.85 | TSHR (0.38) | THRBTSHRALDH1A1CYP19A1EPHX2 | |
| SCHEMBL16075607 | 0.83 | CYP19A1 (0.41) | THRBTSHRALDH1A1CYP19A1EPHX2 | |
| SCHEMBL18417858 | 0.82 | EPHX2 (0.34) | CYP19A1EPHX2CYP17A1 | |
| SCHEMBL6508157 | 0.81 | THRB (0.44) | THRBTSHRALDH1A1NPSR1CA1 | |
| SCHEMBL15449232 | 0.81 | EPHX2 (0.44) | THRBTSHRCYP19A1EPHX2 | |
| SCHEMBL2735084 | 0.81 | EPHX2 (0.38) | THRBTSHRALDH1A1CYP19A1EPHX2 | |
| SCHEMBL737596 | 0.80 | ALDH1A1 (0.35) | THRBTSHRALDH1A1CYP19A1NPSR1 | |
| SCHEMBL7130146 | 0.80 | THRB (0.39) | THRBTSHRALDH1A1CA1CA2 | |
| SCHEMBL7125102 | 0.79 | ALDH1A1 (0.33) | ALDH1A1CYP19A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6670499-B1 | Bis-Methacryloyloxy-adamantanedicarboxylate derivatives; raw materials for dental materials and lenses; transparency, luster, hardness, water resistance | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2003-12-30 | — | — | US | disclosed |
| EP-1164125-A1 | ADAMANTANE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF | Daicel Chemical Industries, Ltd. (JP) | 2001-12-19 | — | — | EP | disclosed |