Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.32 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | MMP8 | P22894 | 2/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Cyclohexylamine SCHEMBL8692790 | 0.94 | ALDH1A1 (0.32) | ALDH1A1HSD17B10EPHX1PDK1PDK2 | |
| SCHEMBL7778173 | 0.88 | ALDH1A1 (0.45) | ALDH1A1HSD17B10EPHX1PDK1PDK2 | |
| SCHEMBL7775102 | 0.88 | ALDH1A1 (0.45) | ALDH1A1HSD17B10EPHX1PDK1PDK2 | |
| SCHEMBL272103 | 0.88 | ALDH1A1 (0.45) | ALDH1A1HSD17B10EPHX1PDK1PDK2 | |
| Iodide SCHEMBL28089655 | 0.85 | ALDH1A1 (0.43) | ALDH1A1HSD17B10EPHX1PDK1PDK2 | |
| Bromide SCHEMBL28089455 | 0.85 | ALDH1A1 (0.43) | ALDH1A1HSD17B10EPHX1PDK1PDK2 | |
| Water SCHEMBL5430832 | 0.85 | ALDH1A1 (0.43) | ALDH1A1HSD17B10EPHX1PDK1PDK2 | |
| Hydrochloric Acid SCHEMBL1241011 | 0.85 | ALDH1A1 (0.43) | ALDH1A1HSD17B10EPHX1PDK1PDK2 | |
| SCHEMBL17821887 | 0.85 | ALDH1A1 (0.43) | ALDH1A1HSD17B10EPHX1PDK1PDK2 | |
| SCHEMBL7778181 | 0.85 | ALDH1A1 (0.40) | ALDH1A1HSD17B10EPHX1PDK1PDK2 |
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-6806289-B1 | SUCH AS AMMINE (2-AMINO-3-PICOLINE) DICHLOROPLATINUM(II); EFFICIENCY AND SELECTIVITY FOR DESTROYING TRANSFORMED CELLS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2004-10-19 | — | — | US | disclosed |