Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAPGEF4 | Q8WZA2 | 11/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | AHR | P35869 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.34 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | TTR | P02766 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17229432 | 0.83 | RAPGEF4 (0.46) | RAPGEF4ALDH1A1TSHRMAPTHTT | |
| SCHEMBL317299 | 0.80 | RAPGEF4 (0.50) | RAPGEF4ALDH1A1TSHRHSD17B10KDM4E | |
| SCHEMBL2937097 | 0.76 | TSHR (0.67) | ALDH1A1TSHRCYP3A4RECQLHSD17B10 | |
| SCHEMBL15413052 | 0.74 | AHR (0.56) | RAPGEF4ALDH1A1TSHRCYP3A4RECQL | |
| SCHEMBL10853627 | 0.73 | RAPGEF4 (0.41) | RAPGEF4ADORA3ESR1ESR2 | |
| SCHEMBL26200975 | 0.72 | GRIN2D (0.39) | RAPGEF4HSD17B10KDM4EMAPTADORA3 | |
| SCHEMBL23517582 | 0.70 | RAPGEF4 (0.45) | RAPGEF4ALDH1A1TSHRCYP3A4RECQL | |
| SCHEMBL7010710 | 0.70 | ALDH1A1 (0.36) | RAPGEF4ALDH1A1TSHRCYP3A4RECQL | |
| SCHEMBL13037434 | 0.70 | MEN1 (0.41) | RAPGEF4ALDH1A1TSHRKDM4EMAPT | |
| SCHEMBL23421828 | 0.70 | RAPGEF4 (0.41) | RAPGEF4ALDH1A1TSHRAHRMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0945443-B9 | HIV inhibiting pyrimidine derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2003-08-13 | — | — | EP | disclosed |
| EP-0945443-B1 | HIV inhibiting pyrimidine derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2003-02-12 | — | — | EP | disclosed |