Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 8/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | KARS1 | Q15046 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27901789 | 0.83 | KDM1A (0.47) | CHRNB2CHRNA4KDM1AADRB2 | |
| SCHEMBL28026080 | 0.80 | CA1 (0.32) | KDM1AADRB2ADRB1ADRB3CA1 | |
| SCHEMBL17732723 | 0.78 | KDM1A (0.43) | KDM1ADRD2MAOAKDM4ECYP2C9 | |
| SCHEMBL17732769 | 0.78 | KDM1A (0.43) | KDM1ADRD2MAOAKDM4ECYP2C9 | |
| SCHEMBL27818616 | 0.78 | CA1 (0.50) | KDM1ADRD2MAOAKDM4ECYP2C9 | |
| SCHEMBL27975898 | 0.78 | KDM1A (0.43) | KDM1ADRD2MAOAKDM4ECYP2C9 | |
| SCHEMBL17732708 | 0.75 | CA1 (0.55) | KDM1AMAOATSHRCA1CA2 | |
| SCHEMBL17732726 | 0.75 | CA1 (0.55) | KDM1AMAOATSHRCA1CA2 | |
| SCHEMBL17732716 | 0.75 | CA1 (0.55) | KDM1AMAOATSHRCA1CA2 | |
| SCHEMBL27708455 | 0.75 | KDM1A (0.43) | KDM1ACA1CA2CA7CA9 |
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-103732596-A | Novel pyrrolopyrimidine derivatives | NOVARTIS AG | 2014-04-16 | — | — | CN | disclosed |