Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13995881 | 0.84 | ALDH1A1 (0.38) | HSD17B10TSHRSLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL13995989 | 0.84 | ALDH1A1 (0.38) | HSD17B10TSHRSLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL2526951 | 0.74 | CA2 (0.42) | CA2HSD17B10TSHRSLC6A4SLC6A3 | |
| SCHEMBL70198 | 0.72 | — | — | |
| SCHEMBL256012 | 0.69 | — | — | |
| SCHEMBL553306 | 0.69 | SLC6A4 (0.34) | KDM4ESLC6A4SLC6A3ALDH1A1NPSR1 | |
| SCHEMBL2717395 | 0.69 | HTT (0.58) | HTTALDH1A1RAB9AMEN1KMT2A | |
| SCHEMBL626634 | 0.69 | SLC6A4 (0.39) | HSD17B10TSHRSLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL11693602 | 0.68 | SIGMAR1 (0.46) | HTTCYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL10211537 | 0.68 | SLC6A4 (0.33) | SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1255738-B1 | GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO | NEUROCRINE BIOSCIENCES INC (US) | 2012-03-07 | — | — | EP | disclosed |