Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL34462371 | 0.93 | HTT (0.58) | HTTMAPTGAANPC1NPSR1 | |
| SCHEMBL4889774 | 0.93 | HTT (0.58) | HTTMAPTGAANPC1NPSR1 | |
| SCHEMBL14950839 | 0.91 | LMNA (0.53) | HTTMAPTGAANPC1NPSR1 | |
| SCHEMBL14940546 | 0.91 | HTT (0.51) | HTTMAPTGAANPC1NPSR1 | |
| SCHEMBL14950955 | 0.90 | MAPT (0.53) | HTTMAPTGAANPC1NPSR1 | |
| SCHEMBL14950765 | 0.88 | MAPT (0.54) | HTTMAPTGAANPC1NPSR1 | |
| SCHEMBL14940127 | 0.84 | HTT (0.45) | HTTMAPTGAANPC1NPSR1 | |
| SCHEMBL14940468 | 0.84 | MAPT (0.71) | HTTMAPTGAANPC1NPSR1 | |
| SCHEMBL14950840 | 0.83 | NPC1 (0.55) | HTTMAPTGAANPC1NPSR1 | |
| SCHEMBL14950959 | 0.83 | MAPT (0.54) | HTTMAPTGAANPC1NPSR1 |
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-2013068592-A1 | INHIBITORS OF CYSTATHIONINE BETA SYNTHASE TO REDUCE THE NEUROTOXIC OVERPRODUCTION OF ENDOGENOUS HYDROGEN SULFIDE | FONDATION JEROME LEJEUNE (FR) | 2013-05-16 | — | — | WO | disclosed |