Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | ACHE | P22303 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL1642155 | 1.00 | TSHR (0.45) | TSHRACHEALDH1A1CA1CA2 | |
| SCHEMBL29726981 | 1.00 | TSHR (0.45) | TSHRACHEALDH1A1CA1CA2 | |
| SCHEMBL6508099 | 1.00 | TSHR (0.45) | TSHRACHEALDH1A1CA1CA2 | |
| SCHEMBL2209672 | 0.81 | NPC1 (0.38) | TSHRACHEALDH1A1CA1CA2 | |
| SCHEMBL235850 | 0.81 | TSHR (0.47) | TSHRACHEALDH1A1CA1CA2 | |
| SCHEMBL29468607 | 0.81 | TSHR (0.47) | TSHRACHEALDH1A1CA1CA2 | |
| SCHEMBL6312471 | 0.80 | TRPA1 (0.41) | TSHRACHEALDH1A1CA1CA2 | |
| O-Xylene SCHEMBL10339521 | 0.77 | TSHR (0.67) | TSHRACHEALDH1A1CA1CA2 | |
| SCHEMBL358581 | 0.77 | TSHR (0.43) | TSHRACHEALDH1A1CA1CA2 | |
| SCHEMBL20774081 | 0.77 | TSHR (0.43) | TSHRACHEALDH1A1CA1CA2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5508180-A | OXIDATION OF SULFIDES; DEALKYLATION OF ETHERS, AMINES; HALOGENATION; POLYMERIZATION | ENZYMOL INTERNATIONAL, INC. | 1996-04-16 | — | — | US | disclosed |
| US-5409893-A | Administering with platinum complexes | BOEHRINGER MANNHEIM ITALIA, S.P.A. (IT) | 1995-04-25 | — | — | US | disclosed |
| US-5391488-A | Biocatalytic oxidation of a reactive primary alcohol using soybean peroxidase | ENZYMOL INTERNATIONAL, INC. (US) | 1995-02-21 | — | — | US | disclosed |
| EP-0471709-B1 | RUTHENIUM(III) COMPLEXES AS ANTINEOPLASTIC AGENTS | BOEHRINGER MANNHEIM ITALIA (IT) | 1994-11-30 | — | — | EP | disclosed |
| EP-0471709-A1 | RUTHENIUM(III) COMPLEXES AS ANTINEOPLASTIC AGENTS. | BOEHRINGER MANNHEIM ITALIA (IT) | 1992-02-26 | — | — | EP | disclosed |
| WO-1990013553-A1 | RUTHENIUM(III) COMPLEXES AS ANTINEOPLASTIC AGENTS | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1990-11-15 | — | — | WO | disclosed |