Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.66 |
| ▸ | MEN1 | O00255 | 1/20 | 0.66 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | LDHA | P00338 | 1/20 | 0.44 |
| ▸ | LDHB | P07195 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL31356709 | 0.81 | ALDH1A1 (0.66) | ALDH1A1SMN1; SMN2MAPK1KMT2AMEN1 | |
| SCHEMBL13096502 | 0.79 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2MAPK1KMT2AMEN1 | |
| SCHEMBL15527691 | 0.79 | HTT (0.48) | ALDH1A1SMN1; SMN2MAPK1KMT2AMEN1 | |
| SCHEMBL428339 | 0.77 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2MAPK1KMT2AMEN1 | |
| SCHEMBL1177339 | 0.74 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2MAPK1KMT2AMEN1 | |
| SCHEMBL12024201 | 0.74 | ALDH1A1 (0.86) | ALDH1A1SMN1; SMN2MAPK1KMT2AMEN1 | |
| SCHEMBL12023784 | 0.73 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2MAPK1KMT2AMEN1 | |
| SCHEMBL14492202 | 0.73 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2MAPK1KMT2AMEN1 | |
| SCHEMBL2474471 | 0.73 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2MAPK1KMT2AMEN1 | |
| SCHEMBL1176975 | 0.71 | MAPT (0.56) | ALDH1A1SMN1; SMN2MAPK1KMT2AMEN1 |
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 |