Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 2/20 | 0.62 |
| ▸ | ABL1 | P00519 | 2/20 | 0.50 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.50 |
| ▸ | BCR | P11274 | 2/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.49 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.47 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.47 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.47 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.47 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4631581 | 0.87 | MAOB (0.62) | MAOBABL1ABCB1BCRHDAC4 | |
| SCHEMBL5828636 | 0.83 | MAOB (0.66) | MAOBABL1ABCB1BCRHDAC4 | |
| SCHEMBL17477242 | 0.82 | TP53 (0.59) | MAOBCYP3A4SLC6A4 | |
| SCHEMBL1180343 | 0.82 | ABL1 (0.69) | MAOBABL1ABCB1BCRHDAC4 | |
| SCHEMBL5556429 | 0.81 | MAOB (0.78) | MAOBABL1ABCB1BCRCYP1A1 | |
| SCHEMBL13952331 | 0.81 | MAOB (0.68) | MAOBABL1ABCB1BCRCYP1A1 | |
| SCHEMBL3503547 | 0.80 | TAAR1 (0.56) | MAOBSIGMAR1 | |
| SCHEMBL2604700 | 0.79 | MAOB (0.66) | MAOBABL1ABCB1BCRHDAC4 | |
| SCHEMBL20777101 | 0.79 | MAOB (0.66) | MAOBABL1ABCB1BCRHDAC4 | |
| SCHEMBL10468492 | 0.79 | MAOB (0.66) | MAOBABL1ABCB1BCRHDAC4 |
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-3174864-A2 | VMAT INHIBITORY COMPOUNDS | Oregon Health & Science University (US) | 2017-06-07 | — | — | EP | disclosed |
| WO-2016019312-A2 | VMAT INHIBITORY COMPOUNDS | OREGON HEALTH & SCIENCE UNIVERSITY (US) | 2016-02-04 | — | — | WO | disclosed |