Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.30 |
| ▸ | MITF | O75030 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.30 |
| ▸ | RELA | Q04206 | 1/20 | 0.30 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.30 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | SYK | P43405 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24323223 | 0.94 | SYK (0.32) | NPC1RAB9ASMN1; SMN2MEN1ALDH1A1 | |
| SCHEMBL24298126 | 0.94 | SYK (0.32) | NPC1RAB9ASMN1; SMN2MEN1ALDH1A1 | |
| SCHEMBL24324763 | 0.93 | NPC1 (0.31) | NPC1RAB9ASMN1; SMN2MEN1ALDH1A1 | |
| SCHEMBL24324602 | 0.92 | ALKBH2 (0.31) | NPC1RAB9ASMN1; SMN2MEN1ALDH1A1 | |
| SCHEMBL24298196 | 0.92 | MEN1 (0.30) | NPC1RAB9ASMN1; SMN2MEN1ALDH1A1 | |
| SCHEMBL24298904 | 0.91 | LOXL2 (0.31) | — | |
| SCHEMBL24324181 | 0.89 | SYK (0.31) | NPC1RAB9ASMN1; SMN2MEN1ALDH1A1 | |
| SCHEMBL24298181 | 0.89 | NPC1 (0.33) | NPC1RAB9ASMN1; SMN2SYK | |
| SCHEMBL24298810 | 0.88 | AAK1 (0.34) | NPC1RAB9ASMN1; SMN2MEN1ALDH1A1 | |
| SCHEMBL22509294 | 0.88 | AAK1 (0.34) | NPC1RAB9ASMN1; SMN2MEN1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022076621-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |
| WO-2022076622-A2 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |