Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.54 |
| ▸ | TSHR | P16473 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 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 | |
|---|---|---|---|---|
| SCHEMBL3793113 | 0.83 | TSHR (0.50) | CYP3A4TSHRALDH1A1MAPK1GAA | |
| SCHEMBL11226980 | 0.79 | TSHR (0.54) | CYP3A4TSHRALDH1A1MAPK1GAA | |
| SCHEMBL272102 | 0.79 | TSHR (0.54) | CYP3A4TSHRALDH1A1MAPK1GAA | |
| SCHEMBL9515929 | 0.79 | TDP1 (0.45) | CYP3A4TSHRALDH1A1MAPK1RECQL | |
| SCHEMBL11253424 | 0.79 | CYP3A4 (0.41) | CYP3A4TSHRALDH1A1MAPK1GAA | |
| SCHEMBL3791602 | 0.76 | TSHR (0.50) | CYP3A4TSHRALDH1A1MAPK1GAA | |
| SCHEMBL30827288 | 0.76 | TSHR (0.50) | CYP3A4TSHRALDH1A1MAPK1GAA | |
| SCHEMBL22602010 | 0.75 | RAB9A (0.47) | CYP3A4ALDH1A1RECQLSMN1; SMN2HTT | |
| SCHEMBL6815592 | 0.74 | PNMT (0.47) | CYP3A4TSHRTDP1TP53HTT | |
| SCHEMBL20565966 | 0.72 | CYP3A4 (0.47) | CYP3A4TSHRALDH1A1MAPK1GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-5106943-A | Molding materials; blend of trimer of polyisocyanate, epoxy compounds, and aromatic polyamine | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-04-21 | — | — | US | disclosed |
| EP-0421393-A2 | Resin, compositions, shaped articles, and methods for manufacture | Takeda Chemical Industries, Ltd. (JP) | 1991-04-10 | — | — | EP | disclosed |