Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | CASP1 | P29466 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | HBB | P68871 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.34 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL29210072 | 0.88 | CD44 (0.44) | CD44TDP1MAPTPOLBCYP3A4 | |
| SCHEMBL30565815 | 0.87 | CD44 (0.57) | CD44TDP1MAPTPOLBCYP3A4 | |
| SCHEMBL2056779 | 0.87 | CD44 (0.57) | CD44TDP1MAPTPOLBCYP3A4 | |
| Hydrochloric Acid SCHEMBL3725463 | 0.85 | CD44 (0.55) | CD44TDP1MAPTPOLBCYP3A4 | |
| Hydrochloric Acid SCHEMBL28212724 | 0.85 | CD44 (0.55) | CD44TDP1MAPTPOLBCYP3A4 | |
| SCHEMBL11396178 | 0.77 | CD44 (0.43) | CD44TDP1MAPTPOLBCYP3A4 | |
| Methyl Alcohol SCHEMBL7119741 | 0.76 | POLB (0.55) | CD44TDP1MAPTPOLBCYP3A4 | |
| SCHEMBL409314 | 0.76 | POLB (0.61) | CD44TDP1MAPTPOLBCYP3A4 | |
| SCHEMBL7597578 | 0.73 | TDP1 (0.41) | CD44TDP1MAPTPOLBCYP3A4 | |
| Carbamic Acid SCHEMBL8735463 | 0.73 | TDP1 (0.41) | CD44TDP1MAPTPOLBCYP3A4 |
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-117820171-A | Process method for synthesizing toluene triisocyanate by using triamino toluene phosgene | 中国融通资源开发集团有限公司 | 2024-04-05 | — | — | CN | claimed |