Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of 4,4'-Thiodianiline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.70 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.70 |
| ▸ | ANXA2 | P07355 | 1/20 | 0.55 |
| ▸ | S100A10 | P60903 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | NT5E | P21589 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | STS | P08842 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MPO | P05164 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9647870 | 0.84 | CYP3A4 (1.00) | TSHRCYP3A4MAPK1ANXA2S100A10 | |
| Sulfuric Acid SCHEMBL28572498 | 0.84 | TSHR (0.68) | TSHRCYP3A4ALDH1A1NT5EMAPT | |
| Sulfuric Acid SCHEMBL147074 | 0.84 | TSHR (0.68) | TSHRCYP3A4ALDH1A1NT5EMAPT | |
| SCHEMBL9649030 | 0.84 | CYP3A4 (1.00) | TSHRCYP3A4MAPK1ANXA2S100A10 | |
| 4,4'-Thiodianiline SCHEMBL49068 | 0.84 | CYP3A4 (1.00) | TSHRCYP3A4MAPK1ANXA2S100A10 | |
| SCHEMBL9485438 | 0.84 | CYP3A4 (1.00) | TSHRCYP3A4MAPK1ANXA2S100A10 | |
| SCHEMBL10813732 | 0.84 | CYP3A4 (1.00) | TSHRCYP3A4MAPK1ANXA2S100A10 | |
| Sulfuric Acid SCHEMBL28270834 | 0.84 | TSHR (0.68) | TSHRCYP3A4ALDH1A1NT5EMAPT | |
| SCHEMBL9485453 | 0.84 | CYP3A4 (1.00) | TSHRCYP3A4MAPK1ANXA2S100A10 | |
| SCHEMBL9647766 | 0.84 | CYP3A4 (1.00) | TSHRCYP3A4MAPK1ANXA2S100A10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5821320-A | MIXING AROMATIC DIAMINE DIHYDROCHLORIDE OR SULFATE WITH AROMATIC ACID DIANHYDRIDE, HEATING TO DEHYDRATE AND CONDENSE | PETROLEUM ENERGY CENTER (JP) | 1998-10-13 | — | — | US | disclosed |