Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.57 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | LTA4H | P09960 | 2/20 | 0.49 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.49 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL14922327 | 0.92 | HRH3 (0.59) | HRH3TLR9MAPTCYP1A2CYP2D6 | |
| SCHEMBL4142508 | 0.86 | HRH3 (0.64) | HRH3CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL14922260 | 0.83 | ADRB1 (0.57) | HRH3CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL22022308 | 0.82 | HRH3 (0.61) | HRH3MAPTCYP1A2HPGDTSHR | |
| Hydrochloric Acid SCHEMBL23855530 | 0.82 | ADRB1 (0.55) | HRH3CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8275460 | 0.81 | HRH3 (0.59) | HRH3MAPTHPGDTSHRTAAR1 | |
| SCHEMBL16218812 | 0.81 | DRD2 (0.59) | HRH3MAPTHPGDTSHRTAAR1 | |
| SCHEMBL21659428 | 0.81 | HRH3 (0.68) | HRH3MAPTHPGDTSHRTAAR1 | |
| SCHEMBL8363114 | 0.81 | HRH3 (0.63) | HRH3MAPTHPGDTSHRTAAR1 | |
| SCHEMBL21659290 | 0.79 | HRH3 (0.79) | HRH3MAPTHPGDKCNH2ALDH1A1 |
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 |