Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.60 |
| ▸ | TSHR | P16473 | 6/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.55 |
| ▸ | RECQL | P46063 | 1/20 | 0.55 |
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 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 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | PDE2A | O00408 | 1/20 | 0.46 |
| ▸ | PDE5A | O76074 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | APEX1 | P27695 | 1/20 | 0.46 |
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) | ALDH1A1TSHRTDP1CYP3A4RECQL | |
| SCHEMBL48806 | 0.92 | ALDH1A1 (0.69) | ALDH1A1TSHRTDP1CYP3A4RECQL | |
| SCHEMBL29349558 | 0.92 | ALDH1A1 (0.69) | ALDH1A1TSHRTDP1CYP3A4RECQL | |
| SCHEMBL9737090 | 0.90 | ALDH1A1 (0.67) | ALDH1A1TSHRTDP1CYP3A4RECQL | |
| SCHEMBL9737083 | 0.90 | ALDH1A1 (0.67) | ALDH1A1TSHRTDP1CYP3A4RECQL | |
| SCHEMBL28282548 | 0.89 | TDP1 (0.66) | ALDH1A1TSHRTDP1CYP3A4RECQL | |
| Trinitrotoluene SCHEMBL20676 | 0.86 | ALDH1A1 (0.61) | ALDH1A1TSHRTDP1CYP3A4RECQL | |
| Trinitrotoluene SCHEMBL891182 | 0.86 | ALDH1A1 (0.61) | ALDH1A1TSHRTDP1CYP3A4RECQL | |
| O-Xylene SCHEMBL11165789 | 0.85 | TSHR (0.66) | ALDH1A1TSHRTDP1CYP3A4RECQL | |
| Dinitrophenylene SCHEMBL17418136 | 0.85 | TSHR (0.63) | ALDH1A1TSHRTDP1CYP3A4RECQL |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109564181-A | Electrochemical Detection containing nitro compound | 拉莫特特拉维夫大学有限公司 | 2019-04-02 | — | — | CN | disclosed |
| US-9706755-B2 | Controlled odor mimic permeation system | FLORIDA INTERNATIONAL (US) | 2017-07-18 | — | — | US | disclosed |
| US-20080295783-A1 | Controlled Odor Mimic Permeation System | THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) | 2008-12-04 | — | — | US | disclosed |