Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 11/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | S100B | P04271 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | IGLV6-57 | P01721 | 1/20 | 0.36 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.36 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11698998 | 0.89 | ALDH1A1 (0.46) | ALDH1A1L3MBTL1MAPTKDM4ELMNA | |
| SCHEMBL8415573 | 0.86 | ALDH1A1 (0.56) | ALDH1A1L3MBTL1MAPTKDM4ELMNA | |
| SCHEMBL14570486 | 0.83 | MAPT (0.39) | ALDH1A1L3MBTL1MAPTKDM4ELMNA | |
| SCHEMBL8070032 | 0.83 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1MAPTKDM4ELMNA | |
| SCHEMBL11221588 | 0.81 | ALDH1A1 (0.33) | ALDH1A1L3MBTL1MAPTKDM4ESMN1; SMN2 | |
| SCHEMBL2945669 | 0.81 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1MAPTKDM4ELMNA | |
| SCHEMBL5689109 | 0.81 | ALDH1A1 (0.59) | ALDH1A1L3MBTL1MAPTKDM4ELMNA | |
| SCHEMBL2845181 | 0.80 | ALDH1A1 (0.63) | ALDH1A1L3MBTL1MAPTKDM4ELMNA | |
| SCHEMBL11321969 | 0.80 | MAPT (0.43) | ALDH1A1L3MBTL1MAPTKDM4ELMNA | |
| SCHEMBL11697151 | 0.80 | ALDH1A1 (0.42) | ALDH1A1L3MBTL1MAPTKDM4ELMNA |
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 2 patents. 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 |
| 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 |