Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | AIMP2 | Q13155 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7355494 | 0.86 | CYP3A4 (0.50) | CYP3A4CYP2C19GAATSHRSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8305307 | 0.85 | CYP3A4 (0.49) | CYP3A4CYP2C19GAATSHRSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL7362073 | 0.85 | CYP3A4 (0.49) | CYP3A4CYP2C19GAATSHRSMN1; SMN2 | |
| SCHEMBL10076132 | 0.79 | CYP3A4 (0.49) | CYP3A4CYP2C19GAATSHRSMN1; SMN2 | |
| SCHEMBL15124202 | 0.79 | CYP3A4 (0.49) | CYP3A4CYP2C19GAATSHRSMN1; SMN2 | |
| SCHEMBL6484035 | 0.79 | CYP3A4 (0.49) | CYP3A4CYP2C19GAATSHRSMN1; SMN2 | |
| SCHEMBL24322490 | 0.77 | TSHR (0.50) | CYP3A4CYP2C19GAATSHRSMN1; SMN2 | |
| SCHEMBL4702393 | 0.77 | HSD17B10 (0.46) | CYP3A4CYP2C19GAATSHRSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL15124337 | 0.77 | CYP3A4 (0.47) | CYP3A4CYP2C19GAATSHRSMN1; SMN2 | |
| SCHEMBL4140588 | 0.77 | TSHR (0.48) | CYP3A4CYP2C19GAATSHRSMN1; SMN2 |
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 |