Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.36 |
| ▸ | TAOK3 | Q9H2K8 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | PNMT | P11086 | 1/20 | 0.35 |
| ▸ | CD44 | P16070 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2264568 | 1.00 | MEN1 (0.51) | MEN1CYP3A4CYP2D6KMT2AHTR2A | |
| SCHEMBL29700481 | 0.86 | MEN1 (0.49) | MEN1CYP3A4CYP2D6KMT2AHTR2A | |
| SCHEMBL18766048 | 0.82 | HTR2C (0.57) | HTR2AHTR2CHTR2BPNMTCD44 | |
| SCHEMBL17120414 | 0.81 | MEN1 (0.51) | MEN1CYP3A4CYP2D6KMT2AHTR2A | |
| SCHEMBL26201345 | 0.81 | MEN1 (0.51) | MEN1CYP3A4CYP2D6KMT2AHTR2A | |
| SCHEMBL17121746 | 0.81 | MEN1 (0.51) | MEN1CYP3A4CYP2D6KMT2AHTR2A | |
| SCHEMBL3118805 | 0.80 | MEN1 (0.50) | MEN1CYP3A4CYP2D6KMT2AHTR2A | |
| SCHEMBL9544082 | 0.80 | MEN1 (0.50) | MEN1CYP3A4CYP2D6KMT2AHTR2A | |
| SCHEMBL19158572 | 0.79 | MEN1 (0.49) | MEN1CYP3A4CYP2D6KMT2AHTR2A | |
| SCHEMBL11072045 | 0.79 | MEN1 (0.53) | MEN1CYP3A4CYP2D6KMT2AHTR2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4225447-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2023-08-16 | — | — | EP | disclosed |
| CN-111511750-B | Macrocyclic derivatives, process for their preparation and pharmaceutical compositions containing them | 法国施维雅药厂 | 2023-06-13 | — | — | CN | disclosed |
| CN-115996907-A | Inhibitors of MLH1 and/or PMS2 for cancer treatment | 奈奥芬莱有限公司 | 2023-04-21 | — | — | CN | disclosed |
| EP-4157463-A1 | INHIBITORS OF MLH1 AND/OR PMS2 FOR CANCER TREATMENT | Neophore Limited (GB) | 2023-04-05 | — | — | EP | disclosed |
| WO-2022076625-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |