Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 9/20 | 0.38 |
| ▸ | RAB9A | P51151 | 9/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.37 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.37 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.35 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.35 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5187339 | 0.85 | P2RX3 (0.42) | CYP1A2CYP2D6CYP2C19CYP2C9NPC1 | |
| SCHEMBL5257932 | 0.80 | KMT2A (0.33) | CYP1A2CYP2D6CYP2C19CYP2C9NPC1 | |
| SCHEMBL5257934 | 0.80 | KMT2A (0.33) | CYP1A2CYP2D6CYP2C19CYP2C9NPC1 | |
| SCHEMBL5251684 | 0.78 | NPC1 (0.38) | CYP1A2CYP2D6CYP2C19CYP2C9NPC1 | |
| SCHEMBL5254840 | 0.76 | RAB9A (0.39) | CYP1A2CYP2D6CYP2C19CYP2C9NPC1 | |
| SCHEMBL4692979 | 0.74 | RAB9A (0.40) | CYP1A2CYP2D6CYP2C19NPC1RAB9A | |
| SCHEMBL5186451 | 0.69 | ALDH1A1 (0.37) | CYP1A2CYP2D6CYP2C19CYP2C9NPC1 | |
| SCHEMBL5185603 | 0.69 | P2RX3 (0.41) | SMN1; SMN2MEN1KMT2ATHRB | |
| SCHEMBL5185597 | 0.69 | P2RX3 (0.41) | SMN1; SMN2MEN1KMT2ATHRB | |
| SCHEMBL5255298 | 0.67 | PKM (0.58) | CYP1A2CYP2D6CYP2C19CYP2C9NPC1 |
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-1798231-A2 | Intermediate products for the preparation of antibacterial compounds | NOVEXEL (FR) | 2007-06-20 | — | — | EP | disclosed |
| EP-1399444-B1 | NOVEL HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINES, IN PARTICULAR AS ANTI-BACTERIAL AGENTS | NOVEXEL (FR) | 2007-04-11 | — | — | EP | disclosed |