Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27851464 | 0.93 | CYP2D6 (0.41) | ALDH1A1GAAPOLBCYP2D6HTT | |
| SCHEMBL27988677 | 0.81 | ALDH1A1 (0.42) | ALDH1A1GAACYP2D6RAB9ANPC1 | |
| SCHEMBL27904166 | 0.81 | ALDH1A1 (0.40) | ALDH1A1GAAPOLBCYP2D6RAB9A | |
| SCHEMBL28094177 | 0.80 | HCRTR2 (0.32) | GAA | |
| SCHEMBL7344308 | 0.79 | ALDH1A1 (0.44) | ALDH1A1GAAPOLBCYP2D6PKM | |
| SCHEMBL28106795 | 0.79 | ALDH1A1 (0.40) | ALDH1A1GAACYP2D6RAB9ANPC1 | |
| SCHEMBL17846419 | 0.78 | CYP2D6 (0.42) | ALDH1A1POLBCYP2D6PKMHTT | |
| SCHEMBL27687421 | 0.77 | STAT3 (0.38) | ALDH1A1POLBCYP2D6HTTRAB9A | |
| SCHEMBL143674 | 0.77 | LMNA (0.47) | ALDH1A1NPC1MEN1LMNAKMT2A | |
| SCHEMBL345625 | 0.77 | LMNA (0.47) | ALDH1A1NPC1MEN1LMNAKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-107207476-A | Indoles and 7-azaindole derivatives and its for the purposes in neurodegenerative disorders | 默克专利有限公司 | 2017-09-26 | — | — | CN | disclosed |