Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 2/20 | 0.36 |
| ▸ | RET | P07949 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | GALR2 | O43603 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | TACR3 | P29371 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | FPR3 | P25089 | 1/20 | 0.34 |
| ▸ | FPR2 | P25090 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | GALR1 | P47211 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.33 |
| ▸ | GSR | P00390 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14715414 | 0.92 | NPC1 (0.41) | RETMAPTTACR3ACHE | |
| SCHEMBL14715358 | 0.91 | MCHR1 (0.42) | MCHR1HTR2ADRD3 | |
| SCHEMBL14715274 | 0.90 | TACR3 (0.45) | RETTACR3HTR2AGSR | |
| SCHEMBL2171028 | 0.87 | RET (0.38) | MCHR1RETLMNAMAPTALDH1A1 | |
| SCHEMBL14714959 | 0.86 | TSHR (0.41) | — | |
| SCHEMBL14715513 | 0.86 | NPC1 (0.41) | RETMAPTALDH1A1NPSR1HTR2A | |
| SCHEMBL14715402 | 0.86 | PDGFRB (0.39) | RET | |
| SCHEMBL14715300 | 0.83 | KDM4E (0.38) | RETMAPTALDH1A1NPSR1HTR2A | |
| SCHEMBL14715477 | 0.83 | ADRA1A (0.49) | — | |
| SCHEMBL14715376 | 0.83 | WHR1 (0.46) | — |
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 |