Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.46 |
| ▸ | TSHR | P16473 | 5/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 4/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.38 |
| ▸ | HBB | P68871 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9547906 | 0.83 | ALDH1A1 (0.50) | ALDH1A1TSHRALOX15HSD17B10GAA | |
| SCHEMBL29184903 | 0.82 | ESR1 (0.46) | TSHR | |
| SCHEMBL1578958 | 0.79 | TSHR (0.54) | ALDH1A1TSHRALOX15HSD17B10GAA | |
| SCHEMBL2381152 | 0.79 | GAA (0.42) | ALDH1A1TSHRALOX15HSD17B10GAA | |
| SCHEMBL9130944 | 0.79 | ALDH1A1 (0.49) | ALDH1A1TSHRGAAL3MBTL1KDM4E | |
| SCHEMBL7203087 | 0.76 | TYR (0.40) | ALDH1A1GAAKDM4EMAPK1 | |
| SCHEMBL7199129 | 0.76 | CHRNA7 (0.39) | ALDH1A1TSHRMAPTTDP1FFAR1 | |
| SCHEMBL13917807 | 0.75 | ALDH1A1 (0.58) | ALDH1A1TSHRALOX15HSD17B10GAA | |
| SCHEMBL142069 | 0.75 | ALDH1A1 (0.58) | ALDH1A1TSHRALOX15HSD17B10GAA | |
| SCHEMBL23745916 | 0.75 | ESR1 (0.31) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1149092-B1 | 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES | HOFFMANN LA ROCHE (CH) | 2003-10-29 | — | — | EP | disclosed |
| US-6313310-B1 | JUN N-TERMINAL KINASE (JNK) ENZYME INHIBITORS; ANTIINFLAMMATORY AGENTS; RHEUMATIC ARTHRITIS AND NEURO-DEGENERATIVE DISEASE TREATMENT | HOFFMANN-LA ROCHE INC. | 2001-11-06 | — | — | US | disclosed |
| EP-1149092-A2 | 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2001-10-31 | — | — | EP | disclosed |
| WO-2000035906-A2 | 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-06-22 | — | — | WO | disclosed |
| EP-0476645-B1 | Calcium uptake inhibitors | MERRELL DOW PHARMA (US) | 1995-09-06 | — | — | EP | disclosed |
| US-5409942-A | Administering 1-phenyl-3-aryl-2-propyne-1-ones compounds | MERRELL DOW PHARMACEUTICALS INC. (US) | 1995-04-25 | — | — | US | disclosed |
| US-5223518-A | Controlling intake in leukocytes and platelets | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-06-29 | — | — | US | disclosed |
| EP-0476645-A1 | Calcium uptake inhibitors | MERRELL DOW PHARMACEUTICALS INC. (US) | 1992-03-25 | — | — | EP | disclosed |