Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 8/20 | 0.63 |
| ▸ | LMNA | P02545 | 2/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.60 |
| ▸ | ACHE | P22303 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | RECQL | P46063 | 1/20 | 0.55 |
| ▸ | CES2 | O00748 | 2/20 | 0.53 |
| ▸ | CES1 | P23141 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.50 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.50 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Trinitrotoluene SCHEMBL4908349 | 0.93 | TSHR (0.55) | TSHRLMNAALDH1A1TDP1ACHE | |
| SCHEMBL48806 | 0.92 | ALDH1A1 (0.69) | TSHRALDH1A1TDP1ACHECYP3A4 | |
| SCHEMBL29349558 | 0.92 | ALDH1A1 (0.69) | TSHRALDH1A1TDP1ACHECYP3A4 | |
| Nitrobenzene SCHEMBL11287386 | 0.91 | TSHR (0.58) | TSHRLMNAALDH1A1TDP1ACHE | |
| SCHEMBL9737090 | 0.90 | ALDH1A1 (0.67) | TSHRALDH1A1TDP1ACHECYP3A4 | |
| SCHEMBL9737083 | 0.90 | ALDH1A1 (0.67) | TSHRALDH1A1TDP1ACHECYP3A4 | |
| SCHEMBL28282548 | 0.89 | TDP1 (0.66) | TSHRLMNAALDH1A1TDP1ACHE | |
| O-Xylene SCHEMBL11165789 | 0.89 | TSHR (0.66) | TSHRLMNAALDH1A1TDP1ACHE | |
| SCHEMBL29047909 | 0.89 | HSD17B10 (0.62) | TSHRLMNAALDH1A1TDP1ACHE | |
| Trinitrotoluene SCHEMBL4904689 | 0.85 | ALDH1A1 (0.60) | TSHRALDH1A1TDP1ACHECYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-9465013-B2 | Methods of detecting and identifying munitions compounds | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 2016-10-11 | — | — | US | disclosed |
| US-20160011154-A1 | METHODS OF DETECTING AND IDENTIFYING MUNITIONS COMPOUNDS | UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 2016-01-14 | — | — | US | disclosed |