Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.70 |
| ▸ | TSHR | P16473 | 3/20 | 0.70 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.43 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.43 |
| ▸ | CD44 | P16070 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | PARP1 | P09874 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30289 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL11297592 | 0.81 | CYP3A4 (0.93) | CYP3A4TSHRPIK3CAALDH1A1HSD17B10 | |
| Hydrochloric Acid SCHEMBL8643455 | 0.81 | CYP3A4 (0.93) | CYP3A4TSHRPIK3CAALDH1A1HSD17B10 | |
| Water SCHEMBL28073225 | 0.81 | CYP3A4 (0.93) | CYP3A4TSHRPIK3CAALDH1A1HSD17B10 | |
| Sulfuric Acid SCHEMBL8638504 | 0.80 | TSHR (0.70) | CYP3A4TSHRPIK3CAALDH1A1HSD17B10 | |
| SCHEMBL29622715 | 0.79 | MMP2 (0.61) | CYP3A4TSHRPIK3CAALDH1A1MMP2 | |
| Oxalic Acid SCHEMBL11574385 | 0.79 | CYP3A4 (0.54) | CYP3A4TSHRPIK3CAALDH1A1MMP2 | |
| Acetic Acid SCHEMBL11035058 | 0.79 | CYP3A4 (0.54) | CYP3A4TSHRPIK3CAALDH1A1MMP2 | |
| Carbamic Acid SCHEMBL1784917 | 0.79 | CD44 (0.74) | CYP3A4TSHRPIK3CAALDH1A1MMP2 | |
| SCHEMBL412192 | 0.79 | MMP2 (0.61) | CYP3A4TSHRPIK3CAALDH1A1MMP2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103492364-B | Method for manufacturing tolylene diisocyanate | MITSU CHEMICALS INC | 2015-03-18 | — | — | CN | disclosed |
| CN-102933545-B | Method of producing toluene dicarbamate, method of producing toluene diisocyanate, and toluene dicarbamate | MITSUI CHEMICALS INC | 2014-11-12 | — | — | CN | disclosed |
| CN-103492364-A | Method for manufacturing tolylene diisocyanate | MITSU CHEMICALS INC | 2014-01-01 | — | — | CN | disclosed |
| CN-102933545-A | Method of producing toluene dicarbamate, method of producing toluene diisocyanate, and toluene dicarbamate | MITSUI CHEMICALS INC | 2013-02-13 | — | — | CN | disclosed |