Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 6/20 | 0.79 |
| ▸ | HTR3A | P46098 | 4/20 | 0.52 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.52 |
| ▸ | HTR3B | O95264 | 3/20 | 0.52 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.52 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.52 |
| ▸ | HTR6 | P50406 | 3/20 | 0.51 |
| ▸ | HTR1A | P08908 | 2/20 | 0.51 |
| ▸ | HTR1D | P28221 | 2/20 | 0.51 |
| ▸ | HTR1B | P28222 | 2/20 | 0.51 |
| ▸ | HTR7 | P34969 | 2/20 | 0.51 |
| ▸ | HTR2B | P41595 | 2/20 | 0.51 |
| ▸ | HTR2A | P28223 | 1/20 | 0.51 |
| ▸ | ESRRB | O95718 | 2/20 | 0.49 |
| ▸ | ESRRG | P62508 | 2/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL82301 | 0.93 | ADRB1 (0.85) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL81940 | 0.89 | ADRB1 (1.00) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL6645952 | 0.89 | ADRB1 (1.00) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| Piperidine SCHEMBL8169169 | 0.88 | HTR3A (0.61) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| Hydrochloric Acid SCHEMBL314404 | 0.87 | ADRB1 (0.96) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| Hydrochloric Acid SCHEMBL3719334 | 0.87 | ADRB1 (0.96) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| Water SCHEMBL27430691 | 0.85 | ADRB1 (0.92) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL17276864 | 0.84 | ADRB1 (0.68) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL28567064 | 0.84 | ADRB1 (0.61) | ADRB1MAPTALDH1A1RECQLKDM4E | |
| SCHEMBL82441 | 0.84 | ADRB1 (0.61) | ADRB1MAPTALDH1A1RECQLKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-3125884-B1 | SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF | UNIV MICHIGAN REGENTS (US) | 2019-11-06 | — | — | EP | disclosed |