Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL7677919 | 0.93 | CYP2C19 (0.67) | CYP2D6CYP3A4CYP2C19POLBALDH1A1 | |
| SCHEMBL7679598 | 0.92 | CYP3A4 (0.58) | CYP2D6CYP3A4CYP2C19POLBALDH1A1 | |
| SCHEMBL7682114 | 0.88 | CYP2C19 (0.60) | CYP2D6CYP3A4CYP2C19ALDH1A1PIK3CA | |
| SCHEMBL7679073 | 0.81 | CYP3A4 (0.45) | CYP2D6CYP3A4CYP2C19PIK3CAKDM4E | |
| SCHEMBL10210050 | 0.80 | PIK3CA (0.50) | PIK3CAKDM4EMAPTHTT | |
| SCHEMBL10154083 | 0.80 | PIK3CA (0.50) | CYP3A4CYP2C19ALDH1A1PIK3CAKDM4E | |
| SCHEMBL3166127 | 0.77 | CYP2D6 (0.65) | CYP2D6CYP3A4CYP2C19POLBALDH1A1 | |
| SCHEMBL24455071 | 0.77 | RAB9A (0.53) | CYP2C19ALDH1A1PIK3CAKDM4ELMNA | |
| SCHEMBL29561895 | 0.77 | RAB9A (0.53) | CYP2C19ALDH1A1PIK3CAKDM4ELMNA | |
| SCHEMBL8197483 | 0.75 | PIK3CA (0.59) | CYP2C19PIK3CAHTT |
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 |