Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.60 |
| ▸ | BACE1 | P56817 | 4/20 | 0.60 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | NSD2 | O96028 | 1/20 | 0.51 |
| ▸ | WHR1 | P49842 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 3/20 | 0.47 |
| ▸ | HTR1D | P28221 | 3/20 | 0.47 |
| ▸ | HTR1B | P28222 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL2919337 | 0.84 | NCF1 (0.60) | ALDH1A1CYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL11787696 | 0.84 | TNF (0.49) | ACHEBACE1 | |
| SCHEMBL11800557 | 0.82 | ACHE (0.51) | ACHEBACE1NSD2 | |
| SCHEMBL3678839 | 0.82 | HRH4 (0.61) | ACHEBACE1HRH4ALDH1A1CYP1A2 | |
| SCHEMBL3680265 | 0.82 | HRH4 (0.61) | ACHEBACE1HRH4HTR1AHTR1D | |
| SCHEMBL27111611 | 0.81 | AURKA (0.48) | ACHEBACE1 | |
| SCHEMBL27508581 | 0.80 | ACHE (0.69) | ACHEBACE1HTR1AALDH1A1KDM4E | |
| SCHEMBL11804499 | 0.80 | ACHE (0.49) | ACHEBACE1NSD2 | |
| SCHEMBL20813430 | 0.80 | ENPP1 (0.48) | ACHEBACE1 | |
| SCHEMBL31502039 | 0.80 | ENPP1 (0.48) | ACHEBACE1 |
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-1020445-B1 | FUSED PYRIDINE DERIVATIVES | EISAI R&D MAN CO LTD (JP) | 2008-08-13 | — | — | EP | disclosed |
| US-3857944-A | 1-PIPERAZINOISOQUINOLINES AS INOTROPIC AGENTS | SANDOZ AG | 1974-12-31 | — | — | US | disclosed |