Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.40 |
| ▸ | CA2 | P00918 | 5/20 | 0.40 |
| ▸ | CA9 | Q16790 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 4/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | LIMK1 | P53667 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.33 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.33 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.33 |
| ▸ | UGT1A7 | Q9HAW7 | 1/20 | 0.33 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28324340 | 0.88 | CA12 (0.38) | CA12CA2CA9TSHRMAPK1 | |
| SCHEMBL28325404 | 0.86 | EPHX2 (0.37) | CA12CA2CA9TSHRMAPK1 | |
| SCHEMBL9082654 | 0.85 | PTGS1 (0.37) | CA12CA9ALDH1A1CA1PTGS1 | |
| SCHEMBL41505 | 0.82 | CA12 (0.55) | CA12CA2CA9TSHRMAPK1 | |
| Hydrochloric Acid SCHEMBL10822973 | 0.79 | CA12 (0.52) | CA12CA2CA9TSHRMAPK1 | |
| Bromide SCHEMBL11753648 | 0.79 | CA12 (0.52) | CA12CA2CA9TSHRMAPK1 | |
| SCHEMBL18251485 | 0.75 | TDP1 (0.32) | CA12CA2CA9LMNATDP1 | |
| SCHEMBL18251492 | 0.73 | CA12 (0.32) | CA12CA2CA9TSHRMAPK1 | |
| SCHEMBL5133203 | 0.73 | CA12 (0.54) | CA12CA2CA9TSHRMAPK1 | |
| SCHEMBL21495970 | 0.73 | CA1 (0.40) | CA12CA2CA9TSHRCA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110396165-A | Ionic hydrophilic polyisocyanates and antioxidant | COVESTRO DEUTSCHLAND AG | 2019-11-01 | — | — | CN | disclosed |
| CN-110396173-A | Ionic hydrophilic polyisocyanates and free radical scavenger and/or peroxide decomposer | COVESTRO DEUTSCHLAND AG | 2019-11-01 | — | — | CN | disclosed |