Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | NOS3 | P29474 | 2/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | NOS2 | P35228 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10694382 | 0.84 | TSHR (0.37) | TSHRHSD17B10CYP1A2CYP2D6NFKB1 | |
| SCHEMBL10692223 | 0.80 | TSHR (0.56) | TSHRHSD17B10LMNAALDH1A1NOS3 | |
| SCHEMBL10696105 | 0.79 | CA12 (0.37) | TSHRCYP1A2CYP2C19LMNAL3MBTL1 | |
| Aniline SCHEMBL10692374 | 0.77 | TSHR (0.46) | TSHRHSD17B10CYP1A2CYP2D6CYP2C19 | |
| Formic Acid SCHEMBL28133098 | 0.74 | ALOX15 (0.41) | TSHRHSD17B10L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL29605286 | 0.73 | — | — | |
| SCHEMBL70747 | 0.73 | — | — | |
| Formaldehyde SCHEMBL27595428 | 0.71 | CYP3A4 (0.47) | TSHRHSD17B10L3MBTL1ALDH1A1HPGD | |
| Methyl Alcohol SCHEMBL27890059 | 0.71 | CYP3A4 (0.47) | TSHRHSD17B10L3MBTL1ALDH1A1NOS3 | |
| Toluene SCHEMBL11194057 | 0.71 | LMNA (0.48) | TSHRCYP2C19LMNAL3MBTL1ALDH1A1 |
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-4754024-A | Fibre-reactive azo dyes containing vinylsulfonyl or analogous groups | CIBA-GEIGY CORPORATION | 1988-06-28 | — | — | US | disclosed |