Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | F3 | P13726 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | MGAM | O43451 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | SI | P14410 | 3/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 3/20 | 0.36 |
| ▸ | MAOB | P27338 | 7/20 | 0.35 |
| ▸ | MAOA | P21397 | 3/20 | 0.35 |
| ▸ | MIF | P14174 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL1279159 | 0.70 | SRD5A2 (0.37) | ALDH1A1HPGDLMNAMAPT | |
| SCHEMBL30913040 | 0.66 | CYP1A2 (0.41) | CYP1A2F3ALDH1A1HTTACHE | |
| SCHEMBL11303812 | 0.66 | AKR1C3 (0.43) | ALDH1A1GAALMNAMAPTMEN1 | |
| SCHEMBL7680840 | 0.65 | CYP1A2 (0.41) | CYP1A2F3ALDH1A1HTTACHE | |
| SCHEMBL9491781 | 0.65 | CYP1A2 (0.40) | CYP1A2F3ALDH1A1HTTMGAM | |
| SCHEMBL11169445 | 0.63 | — | — | |
| SCHEMBL3763259 | 0.62 | CYP1A2 (0.42) | CYP1A2F3ALDH1A1HTTMGAM | |
| SCHEMBL11034824 | 0.61 | CYP1B1 (0.35) | CYP1A2F3ALDH1A1ACHEMAOB | |
| SCHEMBL11399507 | 0.60 | CYP1A2 (0.42) | CYP1A2F3ALDH1A1HTTACHE | |
| SCHEMBL6836753 | 0.60 | AKT1 (0.42) | CYP1A2F3ALDH1A1HTTMGAM |
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-5424263-A | Product formed by contacting silica with hydrocarbon-soluble magnesium compound, heterocyclic fused ring compound having oxygen substituent, modifying silicon, boron or aluminum halide, titanium compound | QUANTUM CHEMICAL CORPORATION (US) | 1995-06-13 | — | — | US | claimed |
| WO-1994025156-A1 | SUPPORTED POLYMERIZATION CATALYST | QUANTUM CHEMICAL CORPORATION (US) | 1994-11-10 | — | — | WO | claimed |