Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.74 |
| ▸ | LMNA | P02545 | 2/20 | 0.74 |
| ▸ | CES2 | O00748 | 1/20 | 0.62 |
| ▸ | CES1 | P23141 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.61 |
| ▸ | ACHE | P22303 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | DDX3X | O00571 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.52 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.50 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL13815840 | 0.98 | TSHR (0.77) | TSHRLMNACES2CES1ALDH1A1 | |
| Sulfuric Acid SCHEMBL34068 | 0.90 | TSHR (0.65) | TSHRLMNACES2CES1ALDH1A1 | |
| SCHEMBL11392463 | 0.90 | TSHR (0.59) | TSHRLMNACES2CES1ALDH1A1 | |
| Dinitrophenylene SCHEMBL9733868 | 0.89 | TSHR (0.94) | TSHRLMNACES2CES1ALDH1A1 | |
| Dinitrophenylene SCHEMBL28091203 | 0.86 | TSHR (0.90) | TSHRLMNACES2CES1ALDH1A1 | |
| Dinitrophenylene SCHEMBL29291896 | 0.86 | TSHR (1.00) | TSHRLMNACES2CES1ALDH1A1 | |
| Dinitrophenylene SCHEMBL36632 | 0.86 | TSHR (1.00) | TSHRLMNACES2CES1ALDH1A1 | |
| SCHEMBL17347353 | 0.86 | TSHR (0.55) | TSHRLMNACES2CES1ALDH1A1 | |
| Dinitrophenylene SCHEMBL27442892 | 0.84 | TSHR (0.85) | TSHRLMNACES2CES1ALDH1A1 | |
| Dinitrophenylene SCHEMBL11661349 | 0.84 | TSHR (0.94) | TSHRLMNACES2CES1ALDH1A1 |
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-5086128-A | HIGH MOLECULAR WEIGHT ARYLENE SULPHIDE POLYMER MELT MIXED WITH AROMATIC NITRO COMPOUND | BAYER AKTIENGESELLSCHAFT (DE) | 1992-02-04 | — | — | US | disclosed |