Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 13/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 11/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 11/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.41 |
| ▸ | LMNA | P02545 | 6/20 | 0.41 |
| ▸ | TSHR | P16473 | 6/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | HBB | P68871 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 8/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.38 |
| ▸ | GSTP1 | P09211 | 2/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16274671 | 0.84 | ALDH1A1 (0.41) | CYP1A2CYP2C9CYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL16274715 | 0.84 | ALDH1A1 (0.41) | CYP1A2CYP2C9CYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL3517696 | 0.83 | ALDH1A1 (0.40) | CYP2C19ALDH1A1LMNATSHRMEN1 | |
| SCHEMBL15170499 | 0.83 | CYP1A2 (0.38) | CYP1A2CYP2C19ALDH1A1CYP3A4LMNA | |
| SCHEMBL16274803 | 0.81 | ALDH1A1 (0.40) | CYP1A2CYP2C9CYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL16274930 | 0.81 | RPS6KB1 (0.41) | CYP1A2CYP2C9CYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL16275027 | 0.81 | CYP1A2 (0.39) | CYP1A2CYP2C9CYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL16274768 | 0.81 | RPS6KB1 (0.44) | CYP1A2CYP2C9CYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL16274951 | 0.80 | ALDH1A1 (0.38) | CYP1A2CYP2C9CYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL16274952 | 0.80 | ALDH1A1 (0.38) | CYP1A2CYP2C9CYP2C19ALDH1A1CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2810944-A1 | HETEROCYCLIC COMPOUND HAVING ANTI-HIV ACTIVITY | Toyama Chemical Co., Ltd. (JP) | 2014-12-10 | — | — | EP | disclosed |