Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | PLK1 | P53350 | 1/20 | 0.45 |
| ▸ | LPL | P06858 | 1/20 | 0.41 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.38 |
| ▸ | RXRB | P28702 | 1/20 | 0.38 |
| ▸ | PLAU | P00749 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13818585 | 0.94 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2PLK1LPLLIPG | |
| SCHEMBL9348304 | 0.84 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2PLK1LPLLIPG | |
| SCHEMBL14072686 | 0.81 | PRSS1 (0.48) | — | |
| SCHEMBL20716158 | 0.80 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2PLK1LPLLIPG | |
| SCHEMBL20218840 | 0.78 | PLK1 (0.47) | ALDH1A1SMN1; SMN2PLK1LPLLIPG | |
| SCHEMBL19453248 | 0.78 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2PLK1LPLLIPG | |
| SCHEMBL6546242 | 0.78 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2PLK1LPLLIPG | |
| SCHEMBL14072690 | 0.77 | CES2 (0.45) | ALDH1A1TRPA1 | |
| SCHEMBL10413952 | 0.77 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2PLK1LPLLIPG | |
| SCHEMBL13818521 | 0.77 | BCL2 (0.62) | RXRARXRBIDO1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015087094-A1 | NEW ARYLALKENYLPROPARGYLAMINE DERIVATIVES EXHIBITING NEUROPROTECTIVE ACTION FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | SEMMELWEIS EGYETEM (HU) | 2015-06-18 | — | — | WO | disclosed |