Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 6/20 | 0.42 |
| ▸ | CTSL | P07711 | 3/20 | 0.42 |
| ▸ | CTSB | P07858 | 3/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | PPIA | P62937 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 2/20 | 0.39 |
| ▸ | CTSK | P43235 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.37 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.37 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.37 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18991773 | 0.84 | ALDH1A1 (0.38) | KMT2A | |
| SCHEMBL1035119 | 0.83 | PPIA (0.42) | CTSSCTSLCTSBCA12CA1 | |
| SCHEMBL5381278 | 0.81 | PPIA (0.49) | CTSSCTSLCTSBCA12CA1 | |
| SCHEMBL2476094 | 0.80 | KMT2A (0.40) | CTSSCTSLCTSBCA12CA1 | |
| SCHEMBL2480628 | 0.80 | KMT2A (0.40) | CTSSCTSLCTSBCA12CA1 | |
| SCHEMBL19559839 | 0.79 | ADRB2 (0.52) | CTSSCTSLCTSBCA12CA1 | |
| SCHEMBL6167707 | 0.78 | CA12 (0.40) | CTSSCTSLCTSBCA12CA1 | |
| SCHEMBL15261788 | 0.74 | CA12 (0.46) | CTSSCTSLCTSBCA12CA1 | |
| SCHEMBL458294 | 0.74 | CA12 (0.39) | CTSSCTSLCTSBCA12CA1 | |
| SCHEMBL12500571 | 0.72 | DRD2 (0.39) | CA12CA1CA7CA14AKT1 |
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-3390389-A1 | POLYCYCLIC TLR7/8 ANTAGONISTS AND USE THEREOF IN THE TREATMENT OF IMMUNE DISORDERS | Merck Patent GmbH (DE) | 2018-10-24 | — | — | EP | disclosed |
| WO-2017106607-A1 | POLYCYCLIC TLR7/8 ANTAGONISTS AND USE THEREOF IN THE TREATMENT OF IMMUNE DISORDERS | MERCK PATENT GMBH (DE) | 2017-06-22 | — | — | WO | disclosed |