Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | PGK1 | P00558 | 1/20 | 0.31 |
| ▸ | PGK2 | P07205 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL10411849 | 1.00 | CYP3A4 (0.37) | CYP3A4TSHRMAPK1PGK1PGK2 | |
| SCHEMBL10346431 | 1.00 | CYP3A4 (0.37) | CYP3A4TSHRMAPK1PGK1PGK2 | |
| SCHEMBL120101 | 0.96 | TSHR (0.39) | CYP3A4TSHRMAPK1PGK1PGK2 | |
| Methane SCHEMBL27481300 | 0.92 | CYP3A4 (0.37) | CYP3A4TSHRMAPK1PGK1PGK2 | |
| Fluoride SCHEMBL28587768 | 0.92 | CYP3A4 (0.37) | CYP3A4TSHRMAPK1PGK1PGK2 | |
| SCHEMBL5182505 | 0.92 | CYP3A4 (0.37) | CYP3A4TSHRMAPK1PGK1PGK2 | |
| Ammonia Solution, Strong SCHEMBL27547044 | 0.92 | CYP3A4 (0.37) | CYP3A4TSHRMAPK1PGK1PGK2 | |
| SCHEMBL2724509 | 0.92 | CYP3A4 (0.44) | CYP3A4TSHRMAPK1PGK1PGK2 | |
| Bromide SCHEMBL28157338 | 0.92 | CYP3A4 (0.37) | CYP3A4TSHRMAPK1PGK1PGK2 | |
| SCHEMBL10345659 | 0.89 | TSHR (0.36) | CYP3A4TSHRMAPK1ALDH1A1ACHE |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0203815-B1 | TECHNETIUM-ARENE COMPLEXES AND METHOD | Mallinckrodt, Inc. (a Delaware corporation) (US) | 1990-05-23 | — | — | EP | disclosed |
| US-4765971-A | REACTION OF TECHNETIUM COMPOUND WITH ENZENE OR SUBSTITUTED BENZENE IN THE PRESENCE OF REDUCING AGENT AND METAL HALIDE | MALLINCKRODT, INC. (US) | 1988-08-23 | — | — | US | disclosed |
| EP-0203815-A2 | Technetium-arene complexes and method | Mallinckrodt, Inc. (a Delaware corporation) (US) | 1986-12-03 | — | — | EP | disclosed |