Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.54 |
| ▸ | CCR5 | P51681 | 1/20 | 0.54 |
| ▸ | CCR8 | P51685 | 1/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.54 |
| ▸ | NOS3 | P29474 | 2/20 | 0.45 |
| ▸ | NOS2 | P35228 | 2/20 | 0.45 |
| ▸ | METAP2 | P50579 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | STAT1 | P42224 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21246463 | 0.81 | CCR1 (0.58) | CCR1CCR5CCR8HDAC6NOS3 | |
| SCHEMBL22925606 | 0.78 | CYP1A1 (0.36) | KDM4ERAB9ANPC1ALDH1A1HPGD | |
| SCHEMBL9287997 | 0.78 | CCR1 (0.54) | CCR1CCR5CCR8HDAC6NOS3 | |
| SCHEMBL21939138 | 0.77 | KMT2A (0.59) | NOS3NOS2KDM4ERAB9AMEN1 | |
| SCHEMBL22925721 | 0.74 | NPSR1 (0.47) | NOS3NOS2KDM4EALDH1A1KMT2A | |
| SCHEMBL13662737 | 0.73 | CCR1 (0.57) | CCR1CCR5CCR8HDAC6NOS3 | |
| Abametapir SCHEMBL351152 | 0.72 | CCR1 (1.00) | CCR1CCR5CCR8HDAC6NOS3 | |
| Abametapir SCHEMBL29374261 | 0.72 | CCR1 (1.00) | CCR1CCR5CCR8HDAC6NOS3 | |
| SCHEMBL12571295 | 0.72 | KDM4E (0.48) | CCR1CCR5CCR8FAAHKDM4E | |
| SCHEMBL13662878 | 0.71 | CCR1 (0.50) | CCR1CCR5CCR8HDAC6NOS3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021012018-A1 | INHIBITOR COMPOUNDS | Cincera Therapeutics Pty Ltd (AU) | 2021-01-28 | — | — | WO | disclosed |