Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | LGMN | Q99538 | 2/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 6/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | HTR3E | A5X5Y0 | 4/20 | 0.36 |
| ▸ | HTR3B | O95264 | 4/20 | 0.36 |
| ▸ | HTR3A | P46098 | 4/20 | 0.36 |
| ▸ | HTR3D | Q70Z44 | 4/20 | 0.36 |
| ▸ | HTR3C | Q8WXA8 | 4/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22015789 | 0.80 | ALDH1A1 (0.50) | ALDH1A1MAPTLGMNADRB1THRB | |
| SCHEMBL27400025 | 0.77 | ADRB1 (0.53) | ALDH1A1MAPTADRB1AKR1C3SIGMAR1 | |
| SCHEMBL22014811 | 0.76 | KDM4E (0.50) | ALDH1A1ADRB1HTR3EHTR3BHTR3A | |
| SCHEMBL25387770 | 0.76 | ALDH1A1 (0.42) | ALDH1A1MAPTTSHRUSP2TP53 | |
| SCHEMBL22015091 | 0.75 | ADRB1 (0.36) | ALDH1A1MAPTADRB1HTR3EHTR3B | |
| SCHEMBL22015092 | 0.73 | HIF1A (0.50) | ALDH1A1MAPTTHRBTSHRUSP2 | |
| SCHEMBL8648308 | 0.72 | ADRB1 (0.57) | ALDH1A1MAPTLGMNADRB1AKR1C3 | |
| SCHEMBL21963849 | 0.71 | ALDH1A1 (0.57) | ALDH1A1MAPTTSHRUSP2CYP2D6 | |
| SCHEMBL12490848 | 0.70 | ALDH1A1 (0.56) | ALDH1A1MAPTLGMNAKR1C3THRB | |
| SCHEMBL20907841 | 0.69 | ADRB1 (0.53) | ALDH1A1MAPTADRB1HTR3EHTR3B |
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-2020099886-A1 | LOX INHIBITORS | THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) | 2020-05-22 | — | — | WO | disclosed |