Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 4/20 | 0.44 |
| ▸ | NOS3 | P29474 | 2/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | CCR1 | P32246 | 1/20 | 0.39 |
| ▸ | ERN1 | O75460 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MPI | P34949 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TERT | O14746 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1646533 | 1.00 | NOS2 (0.44) | NOS2NOS3NOS1CCR1ERN1 | |
| SCHEMBL10974012 | 0.87 | NOS2 (0.43) | NOS2NOS3NOS1CCR1ERN1 | |
| 2-Pyridinecarboxaldehyde SCHEMBL3867891 | 0.82 | RAB9A (0.42) | ALDH1A1SMN1; SMN2MEN1MAPTKMT2A | |
| SCHEMBL25187916 | 0.77 | ALDH1A1 (0.41) | NOS2CCR1ERN1ALDH1A1SMN1; SMN2 | |
| SCHEMBL29953532 | 0.77 | ALDH1A1 (0.41) | NOS2CCR1ERN1ALDH1A1SMN1; SMN2 | |
| SCHEMBL12990641 | 0.77 | NOS2 (0.37) | NOS2CCR1ERN1ALDH1A1SMN1; SMN2 | |
| SCHEMBL3776650 | 0.77 | CCR1 (0.37) | CCR1ERN1ALDH1A1MAPTLMNA | |
| SCHEMBL27261834 | 0.77 | CCR1 (0.37) | CCR1ERN1ALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL6551038 | 0.77 | POLB (0.37) | CCR1ERN1ALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL23444797 | 0.77 | NOS2 (0.37) | NOS2NOS3NOS1CCR1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4225765-A2 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2023-08-16 | — | — | EP | disclosed |
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| WO-2022076622-A2 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |