Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13995835 | 0.80 | ALDH1A1 (0.37) | TSHRALDH1A1TDP1CNR1ADRA1A | |
| SCHEMBL19091159 | 0.79 | THRB (0.39) | TSHRALDH1A1KDM4ECA12CA1 | |
| SCHEMBL7770383 | 0.79 | ALDH1A1 (0.33) | TSHRALDH1A1KDM4ECA12CA1 | |
| SCHEMBL18245196 | 0.79 | ALDH1A1 (0.33) | TSHRALDH1A1KDM4ECA12CA1 | |
| SCHEMBL20996680 | 0.78 | ALDH1A1 (0.35) | TSHRALDH1A1TDP1MEN1KMT2A | |
| SCHEMBL4916951 | 0.78 | KDM4E (0.41) | TSHRALDH1A1KDM4ECA12CA1 | |
| SCHEMBL23058665 | 0.77 | ALDH1A1 (0.32) | TSHRALDH1A1KDM4ECA12CA1 | |
| SCHEMBL16229978 | 0.77 | ALDH1A1 (0.32) | TSHRALDH1A1KDM4ECA12CA1 | |
| SCHEMBL1230889 | 0.76 | — | — | |
| SCHEMBL5692277 | 0.76 | — | — |
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 |