Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20957060 | 0.81 | CYP1A2 (0.47) | CD44ALDH1A1KDM4EHPGDCYP3A4 | |
| SCHEMBL2009339 | 0.73 | CD44 (0.52) | CD44ALDH1A1KDM4EHPGDCYP3A4 | |
| SCHEMBL31606366 | 0.73 | CD44 (0.52) | CD44ALDH1A1KDM4EHPGDCYP3A4 | |
| SCHEMBL4014038 | 0.73 | ALDH1A1 (0.54) | ALDH1A1KDM4EHPGDHTTL3MBTL1 | |
| SCHEMBL19716899 | 0.72 | HDAC1 (0.44) | ALDH1A1KDM4EHPGDHSD17B10L3MBTL1 | |
| SCHEMBL7760775 | 0.72 | CD44 (0.46) | CD44ALDH1A1KDM4EHPGDCYP3A4 | |
| SCHEMBL21408116 | 0.71 | HPGD (0.37) | CD44ALDH1A1KDM4EHPGDCYP3A4 | |
| SCHEMBL3667054 | 0.71 | CD44 (0.54) | CD44ALDH1A1KDM4EHPGDCYP3A4 | |
| SCHEMBL25373683 | 0.71 | CD44 (0.45) | CD44ALDH1A1KDM4EHPGDCYP3A4 | |
| SCHEMBL2807981 | 0.71 | SLC11A2 (0.52) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1105120-A4 | NON-PEPTIDE GnRH AGENTS, METHODS AND INTERMEDIATES FOR THEIR PREPARATION | AGOURON PHARMA (US) | 2001-12-19 | — | — | EP | disclosed |
| EP-1105120-A2 | NON-PEPTIDE GnRH AGENTS, METHODS AND INTERMEDIATES FOR THEIR PREPARATION | AGOURON PHARMACEUTICALS, INC. (US) | 2001-06-13 | — | — | EP | disclosed |
| WO-2000020358-A2 | NON-PEPTIDE GnRH AGENTS, METHODS AND INTERMEDIATES FOR THEIR PREPARATION | AGOURON PHARMACEUTICALS, INC. (US) | 2000-04-13 | — | — | WO | disclosed |