Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | MMP8 | P22894 | 1/20 | 0.46 |
| ▸ | MMP14 | P50281 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11660222 | 0.83 | ALDH1A1 (0.48) | CA1CA2CES1CES2TDP1 | |
| SCHEMBL23270417 | 0.80 | CA1 (0.57) | CA1CA2CES1CES2TDP1 | |
| SCHEMBL356640 | 0.80 | CA2 (0.57) | CA1CA2CES1CES2TDP1 | |
| Phosphoric Acid SCHEMBL28639141 | 0.79 | CA1 (0.65) | CA1CA2CES1CES2TDP1 | |
| SCHEMBL28268315 | 0.78 | CA2 (0.55) | CA1CA2CES1CES2TDP1 | |
| Nitrobenzene SCHEMBL28339777 | 0.76 | ALDH1A1 (0.73) | CA1CA2CES1CES2TDP1 | |
| Hydrogen Peroxide SCHEMBL28789390 | 0.75 | ALDH1A1 (0.72) | CA1CA2CES1CES2TDP1 | |
| SCHEMBL27752664 | 0.75 | ALDH1A1 (0.65) | CA1CA2CES1TDP1ALDH1A1 | |
| SCHEMBL22567 | 0.75 | ALDH1A1 (0.72) | CA1CA2CES1TDP1ALDH1A1 | |
| SCHEMBL27909482 | 0.75 | ALDH1A1 (0.72) | CA1CA2CES1TDP1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4548931-A | Thiophosphonic acid ester pesticides | BAYER AKTIENGESELLSCHAFT (DE) | 1985-10-22 | — | — | US | disclosed |