Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | GSK3A | P49840 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.39 |
| ▸ | IGF1R | P08069 | 2/20 | 0.39 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3471967 | 0.79 | ALDH1A1 (0.50) | ALDH1A1LMNAGAAHSD17B10TSHR | |
| SCHEMBL14450252 | 0.78 | L3MBTL1 (0.39) | ALDH1A1GAAHSD17B10TSHRHTT | |
| SCHEMBL3473567 | 0.77 | HPGD (0.51) | ALDH1A1GAAKDM4CHPGDSMN1; SMN2 | |
| SCHEMBL1945403 | 0.75 | ALDH1A1 (0.55) | ALDH1A1LMNAGAAHSD17B10TSHR | |
| SCHEMBL9652503 | 0.75 | SMN1; SMN2 (0.70) | ALDH1A1LMNAGAAHSD17B10TSHR | |
| SCHEMBL2183881 | 0.73 | GAA (0.58) | ALDH1A1LMNAGAAHSD17B10TSHR | |
| SCHEMBL3472829 | 0.71 | ALDH1A1 (0.55) | ALDH1A1LMNAGAAHSD17B10TSHR | |
| SCHEMBL13143119 | 0.71 | ALDH1A1 (0.55) | ALDH1A1LMNAGAAHSD17B10TSHR | |
| SCHEMBL11614830 | 0.71 | ALDH1A1 (0.51) | ALDH1A1LMNAGAAHSD17B10TSHR | |
| SCHEMBL13534958 | 0.71 | ALDH1A1 (0.57) | ALDH1A1LMNAGAAHSD17B10TSHR |
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-2010072807-A2 | INHIBITORS OF CYSTATHIONINE BETA SYNTHASE TO REDUCE THE NEUROTOXIC OVERPRODUCTION OF ENDOGENOUS HYDROGEN SULFIDE | FONDATION JEROME LEJEUNE (FR) | 2010-07-01 | — | — | WO | disclosed |