Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.54 |
| ▸ | GPR35 | Q9HC97 | 6/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 5/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | TTR | P02766 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | PMP22 | Q01453 | 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 SCHEMBL11327539 | 0.91 | GPR35 (0.59) | ALDH1A1GPR35TDP1TSHRALOX15 | |
| Trinitrotoluene SCHEMBL28223014 | 0.87 | ALDH1A1 (0.61) | ALDH1A1GPR35TDP1TSHRMEN1 | |
| Trinitrophenol SCHEMBL27538937 | 0.86 | CRHBP (0.62) | ALDH1A1GPR35TDP1TSHRALOX15 | |
| Dinitro Cresol SCHEMBL892354 | 0.85 | ALDH1A1 (0.78) | ALDH1A1GPR35TDP1TSHRALOX15 | |
| Trinitrotoluene SCHEMBL27786014 | 0.83 | GPR35 (0.62) | ALDH1A1GPR35TDP1TSHRALOX15 | |
| Phenol SCHEMBL27815806 | 0.83 | TSHR (0.63) | ALDH1A1TDP1TSHRALOX15MEN1 | |
| Trinitrotoluene SCHEMBL891182 | 0.83 | ALDH1A1 (0.61) | ALDH1A1GPR35TDP1TSHRALOX15 | |
| Trinitrotoluene SCHEMBL20676 | 0.83 | ALDH1A1 (0.61) | ALDH1A1GPR35TDP1TSHRALOX15 | |
| Phenol SCHEMBL28300096 | 0.82 | TSHR (0.61) | ALDH1A1GPR35TSHRALOX15MEN1 | |
| Trinitrotoluene SCHEMBL20984912 | 0.82 | GPR35 (0.56) | ALDH1A1GPR35TDP1TSHRALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105110447-A | Application of Au/g-C3N4 nanocomposite | UNIV NANJING SCIENCE & TECH | 2015-12-02 | — | — | CN | disclosed |