Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | P4HB | P07237 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13619134 | 1.00 | ALDH1A1 (0.41) | ALDH1A1HTTKMT2ATSHRHSD17B10 | |
| SCHEMBL15764467 | 0.92 | HSD17B10 (0.44) | ALDH1A1HTTKMT2ATSHRHSD17B10 | |
| SCHEMBL13489710 | 0.85 | CA1 (0.40) | ALDH1A1HTTKMT2ATSHRHSD17B10 | |
| SCHEMBL13618939 | 0.85 | CA1 (0.40) | ALDH1A1HTTKMT2ATSHRHSD17B10 | |
| SCHEMBL26302740 | 0.83 | HSD17B10 (0.43) | ALDH1A1HTTKMT2ATSHRHSD17B10 | |
| SCHEMBL15558022 | 0.83 | HSD17B10 (0.43) | ALDH1A1HTTKMT2ATSHRHSD17B10 | |
| SCHEMBL15764472 | 0.82 | ALDH1A1 (0.45) | ALDH1A1HTTKMT2ATSHRHSD17B10 | |
| SCHEMBL13780899 | 0.82 | TSHR (0.45) | ALDH1A1HTTKMT2ATSHRHSD17B10 | |
| SCHEMBL15598084 | 0.82 | CA1 (0.38) | ALDH1A1HTTKMT2ATSHRHSD17B10 | |
| SCHEMBL16822817 | 0.82 | CA1 (0.38) | ALDH1A1HTTKMT2ATSHRHSD17B10 |
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-2009137251-A2 | CYSTEINE AND CYSTINE BIOISOSTERES TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS | MARQUETTE UNIVERSITY (US) | 2009-11-12 | — | — | WO | disclosed |