Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.59 |
| ▸ | TSHR | P16473 | 3/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 8/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16937600 | 0.87 | ALDH1A1 (0.39) | ALDH1A1CYP3A4TSHRTDP1ADRB2 | |
| SCHEMBL23060034 | 0.87 | ALDH1A1 (0.39) | ALDH1A1CYP3A4TSHRTDP1ADRB2 | |
| SCHEMBL13180029 | 0.87 | ALDH1A1 (0.39) | ALDH1A1CYP3A4TSHRTDP1ADRB2 | |
| SCHEMBL9656679 | 0.86 | ALDH1A1 (0.53) | ALDH1A1CYP3A4TSHRTDP1ADRB2 | |
| SCHEMBL15203130 | 0.84 | TSHR (0.55) | ALDH1A1CYP3A4TSHRTDP1ADRB2 | |
| SCHEMBL13995819 | 0.84 | TSHR (0.55) | ALDH1A1CYP3A4TSHRTDP1ADRB2 | |
| SCHEMBL13995800 | 0.84 | TSHR (0.55) | ALDH1A1CYP3A4TSHRTDP1ADRB2 | |
| SCHEMBL3838045 | 0.83 | TSHR (0.64) | ALDH1A1CYP3A4TSHRTDP1KDM4E | |
| SCHEMBL4162585 | 0.79 | TSHR (0.59) | ALDH1A1CYP3A4TSHRTDP1ADRB2 | |
| SCHEMBL3877285 | 0.79 | CYP3A4 (0.59) | ALDH1A1CYP3A4TSHRTDP1KDM4E |
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 |