Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 5/20 | 0.55 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.55 |
| ▸ | HTR3B | O95264 | 3/20 | 0.55 |
| ▸ | HTR3A | P46098 | 3/20 | 0.55 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.55 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.55 |
| ▸ | CHRNB2 | P17787 | 8/20 | 0.54 |
| ▸ | CHRNA4 | P43681 | 8/20 | 0.54 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.50 |
| ▸ | NCF1 | P14598 | 1/20 | 0.50 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7082120 | 0.92 | ADRB1 (0.63) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Bromide SCHEMBL6539744 | 0.90 | ADRB1 (0.61) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL28769210 | 0.90 | ADRB1 (0.61) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL17276864 | 0.83 | ADRB1 (0.68) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL3248054 | 0.82 | ADRB1 (0.52) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL26635369 | 0.82 | ADRB1 (0.57) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL5235593 | 0.82 | HPGD (0.56) | SIGMAR1ALDH1A1MAPTHTTKDM4E | |
| SCHEMBL2175616 | 0.81 | LMNA (0.62) | ALDH1A1MEN1MAPTHTTKMT2A | |
| SCHEMBL5570604 | 0.81 | ADRB1 (0.77) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL24028031 | 0.81 | CHRNB2 (0.58) | ADRB1HTR3EHTR3BHTR3AHTR3D |
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-2019073251-A1 | LYSYL OXIDASE INHIBITORS | THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) | 2019-04-18 | — | — | WO | disclosed |