Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | HTR7 | P34969 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | HTR3A | P46098 | 1/20 | 0.45 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8669223 | 0.93 | BCHE (0.59) | BCHEHRH3CYP1A2CYP2A6SIGMAR1 | |
| SCHEMBL7986820 | 0.88 | SLC6A4 (0.57) | HRH3SLC6A4SLC6A2SLC6A3HTR2A | |
| SCHEMBL1581891 | 0.81 | GRIN2D (0.50) | HRH3CYP1A2SIGMAR1ACHESLC13A5 | |
| SCHEMBL8625212 | 0.80 | CYP1A2 (0.52) | HRH3CYP1A2CYP2A6SLC6A4ACHE | |
| SCHEMBL22447157 | 0.79 | ALOX5 (0.37) | BCHEHRH3SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL6240981 | 0.79 | CYP1A2 (0.65) | HRH3CYP1A2CYP2A6SIGMAR1SLC6A4 | |
| SCHEMBL29560700 | 0.79 | CYP1A2 (0.65) | HRH3CYP1A2CYP2A6SIGMAR1SLC6A4 | |
| SCHEMBL6942749 | 0.78 | HRH3 (0.47) | HRH3CYP1A2CYP2A6SIGMAR1SLC6A4 | |
| SCHEMBL1967603 | 0.78 | NPY5R (0.56) | HRH3CYP1A2 | |
| SCHEMBL25569484 | 0.78 | SLC6A2 (0.51) | HRH3SLC6A4SLC6A2SLC6A3HTR3A |
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-5811422-A | USEFUL FOR TREATING VIRAL INFECTIONS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-09-22 | — | — | US | disclosed |
| US-5610294-A | VIRAL TREATMENT | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-11 | — | — | US | disclosed |