Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.35 |
| ▸ | FAAH | O00519 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28728194 | 0.85 | KDM4E (0.42) | CYP1A2CYP3A4HPGDTSHRKDM4E | |
| SCHEMBL29406993 | 0.83 | GABRA1 (0.36) | CYP1A2CYP3A4HPGDTSHRKDM4E | |
| SCHEMBL1626479 | 0.82 | ALDH1A1 (0.37) | CYP1A2CYP3A4HPGDTSHRKDM4E | |
| SCHEMBL3839029 | 0.80 | KDM4E (0.49) | CYP1A2CYP3A4HPGDTSHRKDM4E | |
| SCHEMBL12478214 | 0.79 | MAPT (0.41) | CYP1A2CYP3A4HPGDTSHRKDM4E | |
| SCHEMBL31064183 | 0.79 | MAPT (0.41) | CYP1A2CYP3A4HPGDTSHRKDM4E | |
| SCHEMBL15502435 | 0.78 | CXCL8 (0.40) | CYP1A2CYP3A4HPGDTSHRKDM4E | |
| SCHEMBL29709911 | 0.77 | GABRA1 (0.43) | CYP1A2CYP3A4HPGDTSHRKMT2A | |
| SCHEMBL14576568 | 0.76 | KMT2A (0.39) | CYP1A2CYP3A4HPGDTSHRKDM4E | |
| SCHEMBL10894170 | 0.75 | KDM4E (0.42) | CYP1A2CYP3A4HPGDTSHRKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009055674-A1 | PYRROLOPYRIMIDINE ALKYNYL COMPOUNDS AND METHODS OF MAKING AND USING SAME | TARGEGEN INC. (US) | 2009-04-30 | — | — | WO | disclosed |