Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | MAOA | P21397 | 8/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 7/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Aniline SCHEMBL8756429 | 0.85 | TSHR (0.69) | TSHRMAOACYP3A4TDP1TAAR1 | |
| Aniline SCHEMBL29395910 | 0.80 | — | — | |
| Aniline SCHEMBL11803 | 0.80 | — | — | |
| Aniline SCHEMBL30471194 | 0.80 | — | — | |
| Aniline SCHEMBL11811648 | 0.80 | TSHR (1.00) | TSHRMAOACYP3A4TDP1TAAR1 | |
| Aniline SCHEMBL30876135 | 0.80 | — | — | |
| Aniline SCHEMBL9755597 | 0.80 | TSHR (1.00) | TSHRMAOACYP3A4TDP1TAAR1 | |
| SCHEMBL18517570 | 0.80 | TSHR (1.00) | TSHRMAOACYP3A4TDP1TAAR1 | |
| SCHEMBL22096536 | 0.80 | TSHR (1.00) | TSHRMAOACYP3A4TDP1TAAR1 | |
| Aniline SCHEMBL16922171 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104592069-A | 1,3,5-tris(4-aminophenylmercapto)benzene as well as preparation method and application thereof | UNIV JILIN | 2015-05-06 | — | — | CN | disclosed |
| CN-104592069-A | 1,3,5-tris(4-aminophenylmercapto)benzene as well as preparation method and application thereof | UNIV JILIN | 2015-05-06 | — | — | CN | disclosed |