Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 7/20 | 0.60 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | USP2 | O75604 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.52 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.52 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.52 |
| ▸ | HTR1A | P08908 | 1/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.52 |
| ▸ | DRD2 | P14416 | 1/20 | 0.52 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL8615289 | 0.92 | MAPT (0.63) | ABCB1ADRA1BALDH1A1KDM4EUSP2 | |
| SCHEMBL8615117 | 0.82 | MAPT (0.66) | ABCB1ADRA1BALDH1A1KDM4EUSP2 | |
| SCHEMBL8609331 | 0.82 | MAPT (0.66) | ABCB1ADRA1BALDH1A1KDM4EUSP2 | |
| SCHEMBL4753120 | 0.81 | LMNA (0.74) | ABCB1ADRA1BALDH1A1KDM4EUSP2 | |
| SCHEMBL8611715 | 0.80 | HSP90AB1 (0.58) | ABCB1ADRA1BALDH1A1KDM4EUSP2 | |
| SCHEMBL8645443 | 0.80 | ABCB1 (0.73) | ABCB1 | |
| SCHEMBL8609924 | 0.80 | MAPT (0.62) | ABCB1ADRA1BALDH1A1KDM4EUSP2 | |
| SCHEMBL11808577 | 0.77 | CACNA1G (0.66) | ABCB1ALDH1A1KDM4EUSP2TSHR | |
| SCHEMBL8613687 | 0.77 | HSP90AB1 (0.55) | ABCB1KCNH2 | |
| SCHEMBL31448071 | 0.77 | LMNA (0.73) | ABCB1ALDH1A1USP2MAPTLMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0833639-A1 | PHENOXY PIPERAZINE DERIVATIVES FOR TREATING DISORDERS OF THE DOPAMINE SYSTEM | F. HOFFMANN-LA ROCHE AG (CH) | 1998-04-08 | — | — | EP | disclosed |
| US-5614526-A | IN TREATING DISORDERS OF THE DOPAMINE SYSTEM | HOFFMANN-LA ROCHE INC. (US) | 1997-03-25 | — | — | US | disclosed |
| WO-1996041630-A1 | PHENOXY PIPERAZINE DERIVATIVES FOR TREATING DISORDERS OF THE DOPAMINE SYSTEM | F. HOFFMANN-LA ROCHE AG (CH) | 1996-12-27 | — | — | WO | disclosed |