Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.52 |
| ▸ | CA1 | P00915 | 5/20 | 0.52 |
| ▸ | CA2 | P00918 | 5/20 | 0.52 |
| ▸ | CA9 | Q16790 | 5/20 | 0.52 |
| ▸ | DRD2 | P14416 | 4/20 | 0.52 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL375401 | 0.91 | SCN9A (0.50) | CA12CA1CA2CA9DRD2 | |
| SCHEMBL23318052 | 0.90 | PTPN1 (0.49) | CA12CA1CA2CA9DRD2 | |
| SCHEMBL19979808 | 0.89 | CA12 (0.53) | CA12CA1CA2CA9DRD2 | |
| SCHEMBL2548980 | 0.86 | CA12 (0.51) | CA12CA1CA2CA9DRD2 | |
| SCHEMBL12514969 | 0.85 | CA12 (0.54) | CA12CA1CA2CA9DRD2 | |
| SCHEMBL9116472 | 0.85 | ALDH1A1 (0.65) | CA12CA1CA2CA9MAPT | |
| SCHEMBL2551702 | 0.85 | CA12 (0.50) | CA12CA1CA2CA9DRD2 | |
| SCHEMBL20471820 | 0.84 | CA12 (0.48) | CA12CA1CA2CA9DRD2 | |
| SCHEMBL12603045 | 0.84 | ALDH1A1 (0.56) | CA12CA1CA2CA9DRD2 | |
| SCHEMBL19975104 | 0.83 | DRD2 (0.47) | CA12CA1CA2CA9DRD2 |
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-2018053302-A1 | MACROCYCLIC COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE ACTIVITY AND USE THEREOF | ENSEMBLE THERAPEUTICS CORPORATION (US) | 2018-03-22 | — | — | WO | disclosed |
| WO-2018053302-A1 | MACROCYCLIC COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE ACTIVITY AND USE THEREOF | ENSEMBLE THERAPEUTICS CORPORATION (US) | 2018-03-22 | — | — | WO | disclosed |