Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 1/20 | 0.51 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | AKT1 | P31749 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.42 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.42 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.42 |
| ▸ | ACP3 | P15309 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3441407 | 1.00 | TACR1 (0.51) | TACR1CTNNB1CYP1A2CYP2C19CYP2C9 | |
| Hydrochloric Acid SCHEMBL3472368 | 0.98 | TACR1 (0.50) | TACR1CTNNB1CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL1193153 | 0.83 | CTNNB1 (0.50) | TACR1CTNNB1CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL3681421 | 0.82 | CYP1A2 (0.52) | TACR1CTNNB1CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL31332121 | 0.81 | EPHX1 (0.61) | TACR1CTNNB1CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL4665442 | 0.80 | TACR1 (0.48) | TACR1CTNNB1CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL7402726 | 0.78 | CTNNB1 (0.53) | TACR1CTNNB1CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL31054201 | 0.78 | HTR2A (0.55) | TACR1CTNNB1CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL266931 | 0.78 | HTR2A (0.55) | TACR1CTNNB1CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL31054151 | 0.78 | HTR2A (0.55) | TACR1CTNNB1CYP1A2CYP2C19CYP2C9 |
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-7767388-B2 | Method for monitoring the stereoselectivity and relative rate of organic chemical reactions | NUTECH VENTURES (US) | 2010-08-03 | — | — | US | disclosed |
| US-20060263895-A1 | Method for monitoring the stereoselectivity and relative rate of organic chemical reactions | NUTECH VENTURES | 2006-11-23 | — | — | US | disclosed |