Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.49 |
| ▸ | CCR5 | P51681 | 1/20 | 0.49 |
| ▸ | CCR8 | P51685 | 1/20 | 0.49 |
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | MYC | P01106 | 1/20 | 0.42 |
| ▸ | WDR5 | P61964 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MPI | P34949 | 1/20 | 0.40 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | PLAU | P00749 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19638187 | 0.77 | ADORA1 (0.57) | MYCWDR5ADORA1MAPTKDM4E | |
| SCHEMBL30309328 | 0.77 | ADORA1 (0.57) | MYCWDR5ADORA1MAPTKDM4E | |
| SCHEMBL17951012 | 0.76 | MYC (0.64) | MYCWDR5ADORA1ALDH1A1MAPT | |
| SCHEMBL1850971 | 0.75 | TGFBR1 (0.51) | CCR1CCR5CCR8CYP1A2ALDH1A1 | |
| SCHEMBL30309300 | 0.75 | TGFBR1 (0.51) | CCR1CCR5CCR8CYP1A2ALDH1A1 | |
| SCHEMBL6840024 | 0.72 | KDM4E (0.46) | MYCWDR5ALDH1A1KDM4ELMNA | |
| SCHEMBL3406257 | 0.72 | ALDH1A1 (0.58) | CCR1CCR5CCR8CYP1A2ALDH1A1 | |
| Methane SCHEMBL21386924 | 0.71 | CCR1 (0.95) | CCR1CCR5CCR8NOS3NOS1 | |
| SCHEMBL19637978 | 0.70 | ADORA1 (0.51) | MYCWDR5ADORA1ALDH1A1MAPT | |
| SCHEMBL6839964 | 0.70 | MYC (0.31) | MYCWDR5ALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016183173-A1 | ANTIPARASITIC COMPOUNDS | Avista Pharma Solutions (US) | 2016-11-17 | — | — | WO | disclosed |
| WO-2016183173-A1 | ANTIPARASITIC COMPOUNDS | Avista Pharma Solutions (US) | 2016-11-17 | — | — | WO | disclosed |