Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 9/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2600302 | 0.88 | TSHR (0.47) | TSHRALDH1A1TDP1L3MBTL1CYP3A4 | |
| SCHEMBL9096992 | 0.83 | ALDH1A1 (0.71) | TSHRALDH1A1TDP1L3MBTL1CYP3A4 | |
| SCHEMBL9099628 | 0.80 | TSHR (0.73) | TSHRALDH1A1TDP1L3MBTL1CYP3A4 | |
| SCHEMBL2639728 | 0.80 | ALDH1A1 (0.63) | TSHRALDH1A1TDP1L3MBTL1CYP3A4 | |
| SCHEMBL1875714 | 0.79 | TSHR (0.69) | TSHRALDH1A1TDP1L3MBTL1CYP3A4 | |
| SCHEMBL9099049 | 0.79 | TSHR (0.73) | TSHRALDH1A1TDP1L3MBTL1CYP3A4 | |
| SCHEMBL14455157 | 0.79 | ALDH1A1 (0.47) | TSHRALDH1A1TDP1L3MBTL1CYP3A4 | |
| Iodide SCHEMBL11772028 | 0.78 | CHRM2 (0.47) | TSHRALDH1A1TDP1L3MBTL1CYP3A4 | |
| SCHEMBL2639485 | 0.78 | ALDH1A1 (0.74) | TSHRALDH1A1TDP1L3MBTL1CYP3A4 | |
| SCHEMBL9101156 | 0.78 | ALDH1A1 (0.74) | TSHRALDH1A1TDP1L3MBTL1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2711381-A1 | NOVEL COMPOUND, COMPOSITION CONTAINING SAID COMPOUND, AND CURED PRODUCT | Mitsui Chemicals, Inc. (JP) | 2014-03-26 | — | — | EP | disclosed |
| EP-2710994-A1 | DENTAL MATERIAL, DENTAL MATERIAL COMPOSITION, DENTAL REPAIR MATERIAL, AND CURED PRODUCT | Mitsui Chemicals, Inc. (JP) | 2014-03-26 | — | — | EP | disclosed |