Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | SCN1A | P35498 | 1/20 | 0.50 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.50 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.46 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.46 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.45 |
| ▸ | CHRM5 | P08912 | 4/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.45 |
| ▸ | BCHE | P06276 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22982640 | 1.00 | TDP1 (0.50) | TDP1SCN1ASCN2ASCN3ACHRNB2 | |
| SCHEMBL23006166 | 0.87 | ACKR3 (0.51) | SCN1ASCN2ASCN3ACHRM2CHRM4 | |
| SCHEMBL28771668 | 0.87 | ACKR3 (0.51) | SCN1ASCN2ASCN3ACHRM2CHRM4 | |
| SCHEMBL22983598 | 0.87 | ACKR3 (0.51) | SCN1ASCN2ASCN3ACHRM2CHRM4 | |
| SCHEMBL3356243 | 0.81 | TEAD3 (0.47) | CHRNB2CHRNA4RAB9A | |
| SCHEMBL3356236 | 0.81 | TEAD3 (0.47) | CHRNB2CHRNA4RAB9A | |
| SCHEMBL3356619 | 0.81 | TEAD3 (0.47) | CHRNB2CHRNA4RAB9A | |
| SCHEMBL4166609 | 0.78 | KMT2A (0.56) | BCHELMNAALDH1A1MAPT | |
| SCHEMBL21820641 | 0.76 | TDP1 (0.71) | TDP1SCN1ASCN2ASCN3ABCHE | |
| SCHEMBL30763608 | 0.74 | EPHX2 (0.41) | CHRM2CHRM4CHRM5CHRM1CHRM3 |
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-4013759-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2022-06-22 | — | — | EP | disclosed |
| WO-2021030556-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2021-02-18 | — | — | WO | disclosed |