Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.49 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.49 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.49 |
| ▸ | EPAS1 | Q99814 | 2/20 | 0.45 |
| ▸ | VEGFA | P15692 | 1/20 | 0.44 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | AR | P10275 | 2/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1459050 | 0.86 | EPAS1 (0.51) | TSHRCYP3A4TDP1ALDH1A1ALOX15 | |
| SCHEMBL9350040 | 0.85 | TDP1 (0.57) | TSHRCYP3A4TDP1ALDH1A1ALOX15 | |
| SCHEMBL9350046 | 0.84 | TSHR (0.48) | TSHRCYP3A4TDP1ALDH1A1ALOX15 | |
| SCHEMBL29222981 | 0.83 | SIRT6 (0.42) | TSHRCYP3A4TDP1ALDH1A1ALOX15 | |
| SCHEMBL21823810 | 0.81 | TSHR (0.47) | TSHRCYP3A4TDP1ALDH1A1ALOX15 | |
| SCHEMBL2054426 | 0.79 | TSHR (0.58) | TSHRCYP3A4TDP1ALDH1A1ALOX15 | |
| SCHEMBL28113676 | 0.79 | ALDH1A1 (0.45) | TSHRCYP3A4TDP1ALDH1A1ALOX15 | |
| SCHEMBL29659699 | 0.79 | TSHR (0.58) | TSHRCYP3A4TDP1ALDH1A1ALOX15 | |
| SCHEMBL28256134 | 0.78 | TDP1 (0.61) | TSHRCYP3A4TDP1ALDH1A1ALOX15 | |
| SCHEMBL1459049 | 0.78 | EPAS1 (0.43) | TSHRCYP3A4TDP1ALDH1A1ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2646794-B1 | METHOD FOR IN SITU DETECTION OF EXPLOXSIVES IN A GASEOUS MEDIUM | COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) | 2014-08-27 | — | — | EP | disclosed |