Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 14/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 14/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 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 | |
|---|---|---|---|---|
| SCHEMBL146559 | 0.77 | NPC1 (0.65) | CYP11B1CYP11B2CYP3A4NPC1RAB9A | |
| SCHEMBL19415197 | 0.76 | KMT2A (0.52) | NPC1RAB9ASMN1; SMN2MAPTKMT2A | |
| Hydrochloric Acid SCHEMBL28148550 | 0.76 | NPC1 (0.63) | CYP11B1CYP11B2CYP3A4NPC1RAB9A | |
| SCHEMBL24465825 | 0.75 | ESR1 (0.51) | MAPTKMT2A | |
| SCHEMBL152870 | 0.74 | NPC1 (0.66) | CYP11B1CYP11B2CYP3A4NPC1RAB9A | |
| SCHEMBL27891018 | 0.73 | NPC1 (0.56) | CYP11B1CYP11B2CYP3A4NPC1RAB9A | |
| SCHEMBL10332074 | 0.72 | RAB9A (0.58) | NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL20122190 | 0.71 | CYP11B1 (0.80) | CYP11B1CYP11B2CYP3A4NPC1RAB9A | |
| SCHEMBL13401237 | 0.71 | HRH3 (0.50) | NPC1RAB9ASMN1; SMN2MAPTKMT2A | |
| SCHEMBL3849024 | 0.70 | CYP11B1 (0.54) | CYP11B1CYP11B2CYP3A4NPC1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9751890-B2 | Heteroaryl derivatives as CFTR modulators | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-09-05 | — | — | US | disclosed |