Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 5/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL4445625 | 1.00 | TDP1 (0.44) | TDP1CA1CA2CA9CA12 | |
| SCHEMBL49343 | 1.00 | TDP1 (0.44) | TDP1CA1CA2CA9CA12 | |
| Benzene SCHEMBL28943358 | 1.00 | TDP1 (0.44) | TDP1CA1CA2CA9CA12 | |
| Methane SCHEMBL8857655 | 0.96 | TDP1 (0.41) | TDP1CA1CA2CA9CA12 | |
| SCHEMBL9542822 | 0.96 | TDP1 (0.41) | TDP1CA1CA2CA9CA12 | |
| SCHEMBL18787589 | 0.96 | TDP1 (0.41) | TDP1CA1CA2CA9CA12 | |
| Ammonia Solution, Strong SCHEMBL23797888 | 0.96 | TDP1 (0.41) | TDP1CA1CA2CA9CA12 | |
| Iodide SCHEMBL2939093 | 0.96 | TDP1 (0.41) | TDP1CA1CA2CA9CA12 | |
| SCHEMBL21597050 | 0.96 | TDP1 (0.41) | TDP1CA1CA2CA9CA12 | |
| SCHEMBL21597051 | 0.96 | TDP1 (0.41) | TDP1CA1CA2CA9CA12 |
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-108914108-A | Metal complex as corrosion inhibitor | PRC-迪索托国际公司 | 2018-11-30 | — | — | CN | disclosed |
| CN-105247102-A | Metal complexes as corrosion inhibitors | PRC DESOTO INT INC | 2016-01-13 | — | — | CN | disclosed |