Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | KRAS | P01116 | 2/20 | 0.41 |
| ▸ | SOS1 | Q07889 | 2/20 | 0.41 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 2/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.37 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL21145969 | 0.88 | MMP13 (0.43) | HIF1AHTR2CMMP13TACR1CA1 | |
| SCHEMBL24758006 | 0.85 | HIF1A (0.41) | HIF1AHTR2CCA1CA2ACHE | |
| SCHEMBL16950303 | 0.85 | HIF1A (0.41) | HIF1AKRASSOS1HTR2CMMP13 | |
| SCHEMBL16957130 | 0.79 | HTR2C (0.37) | HIF1AHTR2CMMP13HTR2A | |
| SCHEMBL15577039 | 0.79 | HIF1A (0.42) | HIF1AMMP13TACR1 | |
| SCHEMBL21231846 | 0.77 | SLC6A2 (0.54) | HTR2CHTR2A | |
| SCHEMBL21495050 | 0.76 | MMP13 (0.36) | HIF1AHTR2CMMP13PDE4APDE4B | |
| SCHEMBL16950664 | 0.76 | PPARG (0.41) | HIF1AHTR2CPDE4ACA1CA2 | |
| SCHEMBL10192357 | 0.74 | HIF1A (0.42) | HIF1AMMP13PDE4APDE4BPDE4C | |
| SCHEMBL13395132 | 0.74 | CYP2D6 (0.42) | CA1CA2ACHE |
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 |
|---|---|---|---|---|---|---|---|
| CN-102574861-B | Methylpyrrolopyrimidinecarboxamides | TAKEDA GMBH (DE) | 2015-08-05 | — | — | CN | disclosed |