Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 6/20 | 0.67 |
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.43 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.43 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.43 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.43 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TTR | P02766 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL260768 | 0.84 | GPR35 (0.67) | GPR35ACHETSHRCYP3A4CYP1A2 | |
| SCHEMBL4847900 | 0.83 | GPR35 (0.80) | GPR35TSHRCYP3A4CYP1A2ALDH1A1 | |
| SCHEMBL11095264 | 0.82 | ALOX15 (0.58) | GPR35TSHRCYP3A4CYP1A2ALDH1A1 | |
| SCHEMBL29577133 | 0.82 | GPR35 (0.66) | GPR35TSHRCYP3A4CYP1A2ALDH1A1 | |
| SCHEMBL3132904 | 0.82 | GPR35 (0.66) | GPR35TSHRCYP3A4CYP1A2ALDH1A1 | |
| Benzene SCHEMBL27490159 | 0.80 | GPR35 (0.61) | GPR35ACHETSHRCYP3A4CYP1A2 | |
| SCHEMBL322531 | 0.80 | GPR35 (1.00) | GPR35TSHRCYP3A4CYP1A2ALDH1A1 | |
| SCHEMBL11396860 | 0.80 | GPR35 (0.62) | GPR35TSHRCYP3A4ALDH1A1KDM4E | |
| SCHEMBL11095256 | 0.80 | GPR35 (0.62) | GPR35TSHRCYP3A4ALDH1A1KDM4E | |
| SCHEMBL2919736 | 0.80 | CYP1A2 (0.52) | GPR35TSHRCYP1A2ALDH1A1KDM4E |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018106646-A1 | AMINOTRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2018-06-14 | — | — | WO | disclosed |
| US-4487975-A | Etherification of phenols | RHONE-POULENC INDUSTRIES (FR) | 1984-12-11 | — | — | US | disclosed |
| US-4229464-A | Aminopropanol substituted indole compounds and compositions for the treatment of cardiac and circulatory diseases | BOEHRINGER MANNHEIM GMBH (DE) | 1980-10-21 | — | — | US | disclosed |
| US-4171446-A | Indazole compounds | BOEHRINGER MANNHEIM GMBH (DE) | 1979-10-16 | — | — | US | disclosed |
| US-4143149-A | CARDIOVASCULAR DISORDERS | BOEHRINGER MANNHEIM GMBH (DE) | 1979-03-06 | — | — | US | disclosed |