Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.64 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.42 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.41 |
| ▸ | SLC16A3 | O15427 | 2/20 | 0.40 |
| ▸ | SLC16A1 | P53985 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL21164657 | 0.96 | ALDH1A1 (0.62) | ALDH1A1POLBNPC1RAB9AMAPT | |
| SCHEMBL14941772 | 0.83 | ALDH1A1 (0.62) | ALDH1A1POLBNPC1RAB9AMAPT | |
| SCHEMBL6236056 | 0.83 | CHRM4 (0.49) | ALDH1A1POLBRAB9AMAPTCHRM4 | |
| SCHEMBL20490864 | 0.81 | AR (0.45) | ALDH1A1POLBNPC1RAB9ACHRM4 | |
| SCHEMBL20500920 | 0.81 | AR (0.45) | ALDH1A1POLBNPC1RAB9ACHRM4 | |
| SCHEMBL23636917 | 0.79 | ALDH1A1 (1.00) | ALDH1A1POLBNPC1RAB9AMAPT | |
| SCHEMBL14940383 | 0.77 | ALDH1A1 (0.97) | ALDH1A1POLBNPC1RAB9AMAPT | |
| SCHEMBL31013339 | 0.74 | MAOA (0.45) | ALDH1A1MAPTCHRM4ALDH1A3MAOA | |
| SCHEMBL24779891 | 0.74 | MAOA (0.45) | ALDH1A1MAPTCHRM4ALDH1A3MAOA | |
| SCHEMBL27980876 | 0.72 | MAOA (0.46) | ALDH1A1ALDH1A3MAOAMAOBSMN1; SMN2 |
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 |