Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN4A | P35499 | 3/20 | 0.47 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27032843 | 1.00 | SCN4A (0.47) | SCN4AROCK2ROCK1SLC6A4MAOB | |
| SCHEMBL27148327 | 1.00 | SCN4A (0.47) | SCN4AROCK2ROCK1SLC6A4MAOB | |
| SCHEMBL1316052 | 0.81 | MAOB (0.58) | MAOBMAOANPC1RAB9APOLB | |
| SCHEMBL27130672 | 0.79 | CTRB1 (0.51) | MAOBNPC1RAB9AALDH1A1TSHR | |
| SCHEMBL27032916 | 0.79 | CTRB1 (0.51) | MAOBNPC1RAB9AALDH1A1TSHR | |
| SCHEMBL27131065 | 0.77 | ATM (0.50) | — | |
| SCHEMBL27032854 | 0.77 | ATM (0.50) | — | |
| SCHEMBL1316544 | 0.73 | MAOB (0.58) | MAOBMAOAHPGDNPC1RAB9A | |
| SCHEMBL30639503 | 0.73 | SCN4A (0.49) | SCN4AROCK2ROCK1HPGDGSK3B | |
| Hydrochloric Acid SCHEMBL27133820 | 0.73 | SCN4A (0.46) | SCN4AROCK2ROCK1RAB9AGSK3B |
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 |