Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 10/20 | 0.49 |
| ▸ | HTR3E | A5X5Y0 | 5/20 | 0.47 |
| ▸ | HTR3B | O95264 | 5/20 | 0.47 |
| ▸ | HTR3A | P46098 | 5/20 | 0.47 |
| ▸ | HTR3D | Q70Z44 | 5/20 | 0.47 |
| ▸ | HTR3C | Q8WXA8 | 5/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.47 |
| ▸ | HTR5A | P47898 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HTR1D | P28221 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 3/20 | 0.44 |
| ▸ | HTR7 | P34969 | 3/20 | 0.44 |
| ▸ | THRB | P10828 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14922242 | 0.92 | ADRB1 (0.47) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL14922296 | 0.80 | HTR3A (0.47) | HTR3AALDH1A1TP53HTTMAPT | |
| SCHEMBL7503757 | 0.76 | TGFBR1 (0.55) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL29671585 | 0.76 | S100B (0.43) | ALDH1A1CYP1A2CYP2C19HTTMAPT | |
| SCHEMBL254552 | 0.76 | ADRB1 (0.51) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL10407803 | 0.75 | TGFBR1 (0.54) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL5675045 | 0.75 | ADRB1 (0.50) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL4467034 | 0.75 | ADRB1 (0.50) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL10755464 | 0.75 | ADRB1 (0.50) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL8259247 | 0.73 | TGFBR1 (0.50) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE44205-E1 | Adenosine A2a receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-05-07 | — | — | US | disclosed |
| US-RE44205-E1 | Adenosine A2a receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-05-07 | — | — | US | disclosed |