Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 4/20 | 0.49 |
| ▸ | ADRA1B | P35368 | 4/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.46 |
| ▸ | THPO | P40225 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GMNN | O75496 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL14715365 | 0.91 | ADRA1A (0.49) | ADRA1AADRA1BADRA1D | |
| SCHEMBL13333054 | 0.88 | ADRA1A (0.50) | ADRA1AADRA1B | |
| SCHEMBL14715455 | 0.88 | ADRA1A (0.55) | ADRA1AADRA1BTP53GLACYP3A4 | |
| SCHEMBL14715308 | 0.86 | ADRA1A (0.49) | ADRA1AADRA1BADRA1D | |
| SCHEMBL14715452 | 0.85 | ADRA1A (0.48) | ADRA1AADRA1BADRA1D | |
| SCHEMBL14715170 | 0.85 | ADRA1A (0.51) | ADRA1AADRA1BTP53GLACYP3A4 | |
| SCHEMBL14715262 | 0.83 | ADRA1A (0.56) | ADRA1AADRA1BTP53GLACYP3A4 | |
| SCHEMBL14715393 | 0.82 | EHMT2 (0.45) | ADRA1AADRA1BMTOR | |
| SCHEMBL14715381 | 0.81 | ADRA1A (0.57) | ADRA1AADRA1B | |
| SCHEMBL13333050 | 0.80 | ADRA1A (0.51) | ADRA1AADRA1B |
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-2346848-B1 | QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2013-02-27 | — | — | EP | claimed |