Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.48 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | RECQL | P46063 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL5690516 | 1.00 | ESR2 (0.48) | ESR2HCAR2NPSR1HSD17B10HPGD | |
| SCHEMBL5690699 | 1.00 | ESR2 (0.48) | ESR2HCAR2NPSR1HSD17B10HPGD | |
| SCHEMBL5084406 | 1.00 | ESR2 (0.48) | ESR2HCAR2NPSR1HSD17B10HPGD | |
| SCHEMBL5084409 | 1.00 | ESR2 (0.48) | ESR2HCAR2NPSR1HSD17B10HPGD | |
| SCHEMBL15369698 | 0.89 | ESR2 (0.48) | ESR2HCAR2NPSR1HSD17B10HPGD | |
| SCHEMBL11042279 | 0.88 | ESR2 (0.52) | ESR2HCAR2NPSR1HSD17B10HPGD | |
| SCHEMBL11042278 | 0.88 | ESR2 (0.52) | ESR2HCAR2NPSR1HSD17B10HPGD | |
| SCHEMBL11045272 | 0.85 | ESR2 (0.46) | ESR2HCAR2NPSR1HSD17B10HPGD | |
| SCHEMBL6616081 | 0.84 | ESR2 (0.44) | ESR2HCAR2NPSR1HSD17B10HPGD | |
| SCHEMBL18256672 | 0.84 | ESR2 (0.44) | ESR2HCAR2NPSR1HSD17B10HPGD |
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-2004054564-A1 | GABAPENTIN ANALOGUES FOR FIBROMYALGIA AND OTHER RELATED DISORDERS | WARNER-LAMBERT COMPANY LLC (US) | 2004-07-01 | — | — | WO | disclosed |