Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.42 |
| ▸ | NMT1 | P30419 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7681152 | 0.92 | CYP2D6 (0.55) | CYP3A4CYP2D6ALDH1A1L3MBTL1CYP2C19 | |
| SCHEMBL7677919 | 0.85 | CYP2C19 (0.67) | CYP3A4CYP2D6ALDH1A1CYP2C19SLC40A1 | |
| SCHEMBL7682114 | 0.83 | CYP2C19 (0.60) | CYP3A4CYP2D6ALDH1A1CYP2C19SLC40A1 | |
| SCHEMBL7679073 | 0.76 | CYP3A4 (0.45) | CYP3A4CYP2D6CYP2C19SLC40A1PIK3CA | |
| SCHEMBL10210050 | 0.75 | PIK3CA (0.50) | TSHRPIK3CAKDM4EMAPTPIK3CB | |
| SCHEMBL10154083 | 0.75 | PIK3CA (0.50) | CYP3A4ALDH1A1TSHRCYP2C19PIK3CA | |
| SCHEMBL15329158 | 0.75 | CYP3A4 (1.00) | CYP3A4CYP2D6ALDH1A1ALOX15TSHR | |
| SCHEMBL24455071 | 0.72 | RAB9A (0.53) | ALDH1A1CYP2C19PIK3CAKDM4ELMNA | |
| SCHEMBL29561895 | 0.72 | RAB9A (0.53) | ALDH1A1CYP2C19PIK3CAKDM4ELMNA | |
| SCHEMBL2459118 | 0.70 | PIK3CA (0.54) | CYP2C19PIK3CAPIK3CB |
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 |
|---|---|---|---|---|---|---|---|
| US-6455520-B1 | TUMOR NECROSIS FACTOR AND INTERLEUKIN INHIBITORS; ANTIINFLAMMATORY AGENTS, ANTIALLERGENS; BONE DISORDERS | ASTRA ZENECA AB (SE) | 2002-09-24 | — | — | US | disclosed |