Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 4/20 | 0.41 |
| ▸ | DRD3 | P35462 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.40 |
| ▸ | HTR3B | O95264 | 2/20 | 0.40 |
| ▸ | HTR3A | P46098 | 2/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL2477886 | 0.98 | ALDH1A1 (0.47) | ALDH1A1ALDH1A3SMN1; SMN2USP2DRD2 | |
| SCHEMBL188354 | 0.85 | DRD2 (0.60) | ALDH1A1SMN1; SMN2USP2DRD2DRD3 | |
| SCHEMBL2479623 | 0.84 | ALDH1A1 (0.44) | ALDH1A1ALDH1A3SMN1; SMN2USP2DRD2 | |
| SCHEMBL2481232 | 0.83 | AKR1C3 (0.46) | ALDH1A1SMN1; SMN2DRD2DRD3MAPT | |
| SCHEMBL2479088 | 0.82 | KDM4E (0.39) | ALDH1A1SMN1; SMN2USP2DRD2DRD3 | |
| SCHEMBL2481239 | 0.81 | DRD2 (0.49) | ALDH1A1SMN1; SMN2DRD2DRD3MAPT | |
| SCHEMBL2479695 | 0.77 | PDE10A (0.34) | ALDH1A1SMN1; SMN2DRD2DRD3MAPT | |
| SCHEMBL14940417 | 0.77 | ALDH1A3 (0.45) | ALDH1A1ALDH1A3SMN1; SMN2MAPTADRB1 | |
| SCHEMBL2477801 | 0.76 | SMPD3 (0.42) | — | |
| SCHEMBL283083 | 0.76 | DRD2 (0.47) | ALDH1A1DRD2DRD3HTT |
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 |