Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.40 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.40 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA3 | P07451 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3415870 | 0.97 | TDP1 (0.44) | TDP1CYP3A4ALDH1A1CA2MAPK1 | |
| SCHEMBL18837355 | 0.94 | CA2 (0.48) | TDP1CYP3A4ALDH1A1CA2MAPK1 | |
| SCHEMBL28700702 | 0.91 | KDM1A (0.46) | TDP1CYP3A4ALDH1A1CA2MAPK1 | |
| SCHEMBL1357035 | 0.89 | ALDH1A1 (0.50) | TDP1CYP3A4ALDH1A1CA2MAPK1 | |
| SCHEMBL1356320 | 0.89 | ALDH1A1 (0.50) | TDP1CYP3A4ALDH1A1CA2MAPK1 | |
| SCHEMBL19612264 | 0.87 | TDP1 (0.44) | TDP1CYP3A4ALDH1A1CA2MAPK1 | |
| SCHEMBL29441296 | 0.87 | TDP1 (0.41) | TDP1CYP3A4ALDH1A1CA2MAPK1 | |
| SCHEMBL7273101 | 0.87 | TDP1 (0.49) | TDP1CYP3A4ALDH1A1CA2MAPK1 | |
| SCHEMBL28713828 | 0.87 | TDP1 (0.41) | TDP1CYP3A4ALDH1A1CA2MAPK1 | |
| SCHEMBL19612451 | 0.87 | TDP1 (0.39) | TDP1CYP3A4ALDH1A1CA2MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021130772-A1 | ROOM TEMPERATURE ORGANIC LIQUID BASED DUAL MODE SELECTIVE TNT DETECTION KIT AND METHOD | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2021-07-01 | — | — | WO | claimed |
| WO-2020202177-A1 | STABLE SOLVENT-FREE CHARGE TRANSFER LIQUID | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2020-10-08 | — | — | WO | claimed |
| WO-2021130772-A1 | ROOM TEMPERATURE ORGANIC LIQUID BASED DUAL MODE SELECTIVE TNT DETECTION KIT AND METHOD | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2021-07-01 | — | — | WO | disclosed |
| WO-2020202177-A1 | STABLE SOLVENT-FREE CHARGE TRANSFER LIQUID | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2020-10-08 | — | — | WO | disclosed |