Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CTSC | P53634 | 5/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24019759 | 0.77 | SIGMAR1 (0.47) | SIGMAR1KDM4ECYP3A4MAPTSMN1; SMN2 | |
| SCHEMBL18775067 | 0.76 | SIGMAR1 (0.43) | SIGMAR1KDM4ECYP3A4MAPTSMN1; SMN2 | |
| SCHEMBL24323635 | 0.75 | SIGMAR1 (0.41) | SIGMAR1CYP3A4SMN1; SMN2HPGD | |
| SCHEMBL24324590 | 0.74 | SIGMAR1 (0.41) | SIGMAR1KDM4ECYP3A4MAPTSMN1; SMN2 | |
| SCHEMBL9779725 | 0.74 | SIGMAR1 (0.43) | SIGMAR1KDM4ECYP3A4MAPTSMN1; SMN2 | |
| SCHEMBL18775058 | 0.73 | SIGMAR1 (0.40) | SIGMAR1KDM4ECYP3A4MAPTSMN1; SMN2 | |
| SCHEMBL18762581 | 0.73 | SIGMAR1 (0.44) | SIGMAR1KDM4ECYP3A4MAPTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL9676562 | 0.72 | CYP3A4 (0.44) | SIGMAR1KDM4ECYP3A4MAPTSMN1; SMN2 | |
| SCHEMBL20739382 | 0.72 | SIGMAR1 (0.39) | SIGMAR1KDM4ECYP3A4MAPTSMN1; SMN2 | |
| SCHEMBL18762460 | 0.72 | SIGMAR1 (0.39) | SIGMAR1KDM4ECYP3A4MAPTSMN1; SMN2 |
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-2023196429-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-10-12 | — | — | WO | disclosed |
| WO-2022076622-A2 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |