Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 15/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | NR5A2 | O00482 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3469803 | 0.88 | ALDH1A1 (0.49) | ALDH1A1CYP2C19CYP2C9SMN1; SMN2PKM | |
| SCHEMBL3474711 | 0.86 | ALDH1A1 (0.45) | ALDH1A1CYP2C19CYP2C9SMN1; SMN2PKM | |
| SCHEMBL3475444 | 0.82 | ALDH1A1 (0.52) | ALDH1A1CYP2C19CYP2C9SMN1; SMN2PKM | |
| SCHEMBL3470758 | 0.80 | ALDH1A1 (0.54) | ALDH1A1CYP2C19CYP2C9SMN1; SMN2PKM | |
| SCHEMBL2182131 | 0.75 | SMN1; SMN2 (0.61) | ALDH1A1SMN1; SMN2PKMTSHRHTT | |
| SCHEMBL2182128 | 0.75 | SMN1; SMN2 (0.61) | ALDH1A1SMN1; SMN2PKMTSHRHTT | |
| SCHEMBL3471653 | 0.72 | SMN1; SMN2 (0.52) | ALDH1A1SMN1; SMN2PKMTSHRHSD17B10 | |
| SCHEMBL11720631 | 0.71 | ALDH1A1 (0.60) | ALDH1A1CYP2C19CYP2C9SMN1; SMN2PKM | |
| SCHEMBL3471967 | 0.71 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2PKMTSHRMAPT | |
| SCHEMBL11807328 | 0.70 | ALDH1A1 (0.58) | ALDH1A1CYP2C19CYP2C9SMN1; SMN2PKM |
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 |