Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 3/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 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 | |
|---|---|---|---|---|
| SCHEMBL27996697 | 0.76 | ACHE (0.42) | ACHEKDM4EALDH1A1HPGDCA1 | |
| SCHEMBL27996948 | 0.76 | ACHE (0.42) | ACHEKDM4EALDH1A1HPGDTSHR | |
| SCHEMBL27996657 | 0.76 | ACHE (0.42) | ACHEKDM4EALDH1A1HPGDTSHR | |
| SCHEMBL613008 | 0.70 | ACHE (0.44) | ACHEKDM4EALDH1A1L3MBTL1MAOB | |
| SCHEMBL7310836 | 0.69 | ACHE (0.43) | ACHEKDM4EALDH1A1L3MBTL1KDM1A | |
| Hydrochloric Acid SCHEMBL7310685 | 0.69 | ACHE (0.42) | ACHEKDM4EALDH1A1L3MBTL1KDM1A | |
| SCHEMBL13350266 | 0.67 | SLC6A2 (0.43) | ACHEKDM1AMAOBCA1CA2 | |
| SCHEMBL7313225 | 0.66 | ALDH1A1 (0.55) | ACHEKDM4EALDH1A1L3MBTL1SIRT1 | |
| SCHEMBL11080733 | 0.65 | TUBB4A (0.42) | ACHEKDM4EALDH1A1KDM1AMAOB | |
| SCHEMBL27914001 | 0.64 | ALDH1A1 (0.45) | ACHEKDM4EALDH1A1HPGDCA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2421862-A1 | OCTAHYDROBENZOISOQUINOLINE MODULATORS OF DOPAMINE RECEPTORS AND USES THEREFOR | Purdue Research Foundation (US) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010124005-A1 | OCTAHYDROBENZOISOQUINOLINE MODULATORS OF DOPAMINE RECEPTORS AND USES THEREFOR | PURDUE RESEARCH FOUNDATION (US) | 2010-10-28 | — | — | WO | disclosed |