Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ANPEP | P15144 | 2/20 | 0.40 |
| ▸ | ERAP2 | Q6P179 | 2/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.40 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 3/20 | 0.38 |
| ▸ | MMP8 | P22894 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.34 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18501084 | 0.96 | ANPEP (0.43) | ANPEPERAP2S1PR4S1PR1S1PR3 | |
| SCHEMBL18501082 | 0.92 | S1PR4 (0.37) | ANPEPERAP2S1PR4S1PR1S1PR3 | |
| SCHEMBL18501121 | 0.76 | CA12 (0.41) | ANPEPERAP2MMP2MMP8KDM4E | |
| SCHEMBL13451331 | 0.73 | — | — | |
| SCHEMBL18501123 | 0.71 | SAT1 (0.38) | ANPEPERAP2MMP2MMP8TDP1 | |
| SCHEMBL17859165 | 0.69 | LPAR3 (0.44) | LPAR3LPAR1LPAR2 | |
| SCHEMBL6026425 | 0.69 | INPP5A (0.41) | ANPEPERAP2S1PR4S1PR1S1PR3 | |
| SCHEMBL5482641 | 0.69 | KDM4E (0.55) | L3MBTL1KDM4ECYP1A2CYP2D6CYP2C19 | |
| SCHEMBL16754235 | 0.68 | SMN1; SMN2 (0.43) | L3MBTL1KDM4ECYP1A2CYP2D6CYP2C19 | |
| SCHEMBL13941965 | 0.68 | — | — |
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-9567358-B2 | Methods of treatment using N-(3-fluorophenyl)-2-{3-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}-quinazolin-4-yl)amino]-1H-pyrazol-5-yl}acetamide | ASTRAZENECA AB (SE) | 2017-02-14 | — | — | US | disclosed |