Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.79 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KAT2B | Q92831 | 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 | |
|---|---|---|---|---|
| SCHEMBL41402 | 0.89 | TSHR (0.59) | TSHRTDP1ALDH1A1SMN1; SMN2HSD17B10 | |
| SCHEMBL29763129 | 0.89 | TSHR (0.59) | TSHRTDP1ALDH1A1SMN1; SMN2HSD17B10 | |
| SCHEMBL29359563 | 0.89 | TSHR (1.00) | TSHRTDP1ALDH1A1SMN1; SMN2HSD17B10 | |
| SCHEMBL1101208 | 0.89 | TSHR (1.00) | TSHRTDP1ALDH1A1SMN1; SMN2HSD17B10 | |
| SCHEMBL146895 | 0.89 | TSHR (1.00) | TSHRTDP1ALDH1A1SMN1; SMN2HSD17B10 | |
| SCHEMBL11696134 | 0.87 | TSHR (0.96) | TSHRTDP1ALDH1A1SMN1; SMN2HSD17B10 | |
| SCHEMBL8717819 | 0.87 | TSHR (0.96) | TSHRTDP1ALDH1A1SMN1; SMN2HSD17B10 | |
| SCHEMBL541489 | 0.87 | TDP1 (0.72) | TSHRTDP1ALDH1A1SMN1; SMN2HSD17B10 | |
| SCHEMBL31188803 | 0.87 | TSHR (0.96) | TSHRTDP1ALDH1A1SMN1; SMN2HSD17B10 | |
| SCHEMBL28589645 | 0.87 | TSHR (0.96) | TSHRTDP1ALDH1A1SMN1; SMN2HSD17B10 |
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-5728969-A | DINITROTOLUENE | MITSUBISHI CHEMICAL CORPORATION (JP) | 1998-03-17 | — | — | US | disclosed |
| US-5675119-A | POWDER MIXTURE COMPRISING A METAL POWDER AND AN AROMATIC DINITRO COMPOUND; SENSITIVITY | MITSUBISHI CHEMICAL CORPORATION (JP) | 1997-10-07 | — | — | US | disclosed |