Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.61 |
| ▸ | LMNA | P02545 | 3/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.61 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL7180595 | 0.97 | ACHE (0.65) | ACHELMNATSHRALOX12HPGD | |
| Toluene SCHEMBL27595426 | 0.94 | ACHE (0.61) | ACHELMNATSHRALOX12HPGD | |
| SCHEMBL806588 | 0.92 | ACHE (0.58) | ACHELMNATSHRALOX12HPGD | |
| SCHEMBL806578 | 0.92 | ACHE (0.56) | ACHELMNATSHRALOX12HPGD | |
| P-Xylene SCHEMBL27859158 | 0.85 | ACHE (0.53) | ACHELMNATSHRALOX12HPGD | |
| Pyrrole SCHEMBL28367709 | 0.82 | RAB9A (0.47) | ACHELMNATSHRALOX12HPGD | |
| Toluene SCHEMBL15009 | 0.82 | — | — | |
| Toluene SCHEMBL628172 | 0.82 | — | — | |
| Toluene SCHEMBL28760923 | 0.82 | ACHE (0.92) | ACHELMNATSHRALOX12HPGD | |
| Toluene SCHEMBL27482738 | 0.82 | ACHE (0.92) | ACHELMNATSHRALOX12HPGD |
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-100400520-C | Method for extracting methyl o-phenylendiamine from TDI organic residue and synthesizing TTA using same | XINXING INDUSTRY & TRADE CO LT (CN) | 2008-07-09 | — | — | CN | disclosed |