Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | GNRHR | P30968 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | METAP2 | P50579 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.33 |
| ▸ | VCP | P55072 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23897443 | 0.97 | EGFR (0.38) | EGFRGNRHRALDH1A1HPGDPOLB | |
| SCHEMBL22912281 | 0.88 | EGFR (0.36) | EGFRALDH1A1HPGDPOLBCYP1A2 | |
| SCHEMBL22912304 | 0.87 | HSD17B10 (0.35) | ALDH1A1VCPTSHRMAPK1HSD17B10 | |
| SCHEMBL29976275 | 0.87 | GNRHR (0.36) | EGFRGNRHRALDH1A1POLBGAA | |
| SCHEMBL19806023 | 0.87 | GNRHR (0.36) | EGFRGNRHRALDH1A1POLBGAA | |
| SCHEMBL22912287 | 0.87 | KDM4E (0.32) | GNRHRALDH1A1HPGDPOLBCYP1A2 | |
| SCHEMBL22912251 | 0.86 | EGFR (0.37) | EGFRGNRHRALDH1A1HPGDPOLB | |
| SCHEMBL22912303 | 0.86 | VCP (0.33) | GNRHRVCP | |
| SCHEMBL19805630 | 0.86 | EGFR (0.35) | EGFRGNRHRALDH1A1HPGDPOLB | |
| SCHEMBL19806106 | 0.85 | VCP (0.32) | VCP |
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-2018014802-A1 | APOPTOSIS INHIBITORS | NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) | 2018-01-25 | — | — | WO | disclosed |