Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.38 |
| ▸ | MME | P08473 | 1/20 | 0.38 |
| ▸ | ACE | P12821 | 1/20 | 0.38 |
| ▸ | CPA1 | P15085 | 1/20 | 0.38 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | TACR1 | P25103 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8686986 | 0.90 | CYP1A2 (0.44) | SIGMAR1CYP1A2CYP2C19CYP2D6CTNNB1 | |
| SCHEMBL7528890 | 0.86 | CYP1A2 (0.53) | SIGMAR1CYP1A2CYP2C19CYP2D6CTNNB1 | |
| SCHEMBL4817490 | 0.83 | CYP1A2 (0.47) | SIGMAR1CYP1A2CYP2C19CYP2D6CTNNB1 | |
| SCHEMBL9859804 | 0.83 | KDM4E (0.46) | SIGMAR1CYP1A2CYP2C19CYP2D6CTNNB1 | |
| SCHEMBL27318580 | 0.81 | CYP1A2 (0.46) | SIGMAR1CYP1A2CYP2C19CYP2D6CTNNB1 | |
| SCHEMBL6711071 | 0.80 | CYP2D6 (0.46) | SIGMAR1CYP1A2CYP2C19CYP2D6CTNNB1 | |
| SCHEMBL8325161 | 0.78 | SIGMAR1 (0.56) | SIGMAR1CYP1A2CYP2C19CYP2D6CTNNB1 | |
| SCHEMBL8877478 | 0.78 | CYP1A2 (0.48) | SIGMAR1CYP1A2CYP2C19CYP2D6CTNNB1 | |
| SCHEMBL9395129 | 0.76 | CTNNB1 (0.54) | SIGMAR1CYP1A2CYP2C19CYP2D6CTNNB1 | |
| SCHEMBL4817621 | 0.75 | CYP1A2 (0.50) | SIGMAR1CYP1A2CYP2C19CYP2D6CTNNB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1611130-A2 | REVERSE-TURN MIMETICS AND METHOD RELATING THERETO | Choongwae Pharma Corporation (KR) | 2006-01-04 | — | — | EP | disclosed |
| WO-2004093828-A2 | REVERSE-TURN MIMETICS AND METHOD RELATING THERETO | CHOONGWAE PHARMA CORPORATION (KR) | 2004-11-04 | — | — | WO | disclosed |