Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 3/20 | 0.54 |
| ▸ | CTSK | P43235 | 3/20 | 0.54 |
| ▸ | CTSL | P07711 | 2/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 10/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 10/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 10/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 10/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 10/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 10/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 10/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 10/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 10/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 10/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 10/20 | 0.43 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30639572 | 1.00 | CTSS (0.54) | CTSSCTSKCTSLHDAC3HDAC4 | |
| SCHEMBL29828736 | 0.90 | CTSS (0.49) | CTSSCTSKCTSLHDAC3HDAC4 | |
| SCHEMBL27032968 | 0.86 | ATM (0.51) | CTSSCTSKCTSLHDAC3HDAC4 | |
| SCHEMBL27137035 | 0.86 | ATM (0.51) | CTSSCTSKCTSLHDAC3HDAC4 | |
| SCHEMBL30639541 | 0.86 | ATM (0.51) | CTSSCTSKCTSLHDAC3HDAC4 | |
| SCHEMBL4900597 | 0.77 | CTSS (0.63) | CTSSCTSKCTSLHDAC3HDAC4 | |
| SCHEMBL29828325 | 0.77 | CTSS (0.63) | CTSSCTSKCTSLHDAC3HDAC4 | |
| SCHEMBL4899214 | 0.77 | CTSS (0.63) | CTSSCTSKCTSLHDAC3HDAC4 | |
| SCHEMBL6855159 | 0.77 | CTSS (0.63) | CTSSCTSKCTSLHDAC3HDAC4 | |
| SCHEMBL30878142 | 0.77 | ATM (0.47) | CTSSCTSKCTSLATMCYP3A4 |
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-4308575-A1 | MACROCYCLES AS CFTR MODULATORS | Idorsia Pharmaceuticals Ltd (CH) | 2024-01-24 | — | — | EP | disclosed |
| WO-2022194399-A1 | MACROCYCLES AS CFTR MODULATORS | IDORSIA PHARMACEUTICALS LTD (CH) | 2022-09-22 | — | — | WO | disclosed |