Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 4/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.45 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.45 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.44 |
| ▸ | CETP | P11597 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | SIRT5 | Q9NXA8 | 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 | |
|---|---|---|---|---|
| SCHEMBL7617976 | 0.88 | TDP1 (0.55) | CYP2C19CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL29490353 | 0.78 | CYP2C19 (0.62) | CYP2C19CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL599659 | 0.78 | CYP2C19 (0.62) | CYP2C19CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL5008796 | 0.77 | TDP1 (0.59) | CYP2C19CYP1A2CYP2D6CYP2C9TDP1 | |
| SCHEMBL269372 | 0.76 | TDP1 (0.62) | CYP2C19CYP1A2CYP2D6CYP2C9TDP1 | |
| SCHEMBL11339937 | 0.75 | CYP2C19 (0.60) | CYP2C19CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4667060 | 0.75 | CYP2C19 (0.60) | CYP2C19CYP3A4CYP1A2CYP2D6CYP2C9 | |
| Hydrogen Sulfide SCHEMBL11348128 | 0.75 | CYP2C19 (0.60) | CYP2C19CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL659517 | 0.75 | CYP2C19 (0.60) | CYP2C19CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL659516 | 0.75 | CYP2C19 (0.60) | CYP2C19CYP3A4CYP1A2CYP2D6CYP2C9 |
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 |