Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19840713 | 0.88 | CYP1A2 (0.49) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL19840869 | 0.87 | ANPEP (0.35) | CHRM2CYP1A2CYP2D6CYP2C19HRH4 | |
| SCHEMBL19840866 | 0.87 | ANPEP (0.35) | CHRM2CYP1A2CYP2D6CYP2C19HRH4 | |
| SCHEMBL19841116 | 0.87 | MEN1 (0.41) | CA1CA2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL19840787 | 0.87 | MEN1 (0.47) | CHRM2HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL19840793 | 0.86 | CYP1A2 (0.34) | CHRM2CYP1A2CYP2D6CYP2C19HRH4 | |
| SCHEMBL19841138 | 0.85 | CA1 (0.41) | TP53CA1CA2HDAC3HDAC4 | |
| SCHEMBL19841003 | 0.85 | SMN1; SMN2 (0.44) | CHRM2HDAC1CYP1A2CYP2D6HRH4 | |
| SCHEMBL19840804 | 0.85 | MAPK1 (0.50) | CHRM2TP53LMNAMEN1KMT2A | |
| SCHEMBL19840832 | 0.85 | POLB (0.34) | CHRM2CA12CA1CA2CA9 |
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-9884832-B2 | Inhibitors targeting drug-resistant influenza A | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2018-02-06 | — | — | US | disclosed |