Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSMB5 | P28074 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | AKT2 | P31751 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18762209 | 0.83 | ABL1 (0.44) | L3MBTL1NPC1RAB9ASMN1; SMN2PTGS2 | |
| SCHEMBL18763003 | 0.81 | DDT (0.49) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL17485225 | 0.78 | MAPT (0.47) | CYP11B1CYP11B2ALDH1A1NPC1MAPT | |
| SCHEMBL10105111 | 0.77 | PSMB5 (0.49) | PSMB5CYP1A2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL18762212 | 0.77 | MKNK1 (0.55) | NPC1RAB9ASMN1; SMN2USP7ABL1 | |
| SCHEMBL14923566 | 0.74 | IRAK4 (0.46) | PSMB5TP53AKT1AKT2ALDH1A1 | |
| SCHEMBL22168548 | 0.73 | PSMB5 (0.41) | PSMB5CYP1A2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL19285631 | 0.72 | PSMB5 (0.60) | PSMB5CYP1A2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL13561344 | 0.71 | METAP2 (0.49) | PSMB5CYP1A2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL6244123 | 0.71 | HTT (0.55) | L3MBTL1TDP1MAPTMAPK1SMN1; 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 |
|---|---|---|---|---|---|---|---|
| US-9751890-B2 | Heteroaryl derivatives as CFTR modulators | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-09-05 | — | — | US | disclosed |
| US-20170107225-A1 | HETEROARYL DERIVATIVES AS CFTR MODULATORS | VERTEX PHARMACEUTICALS INCORPORATED | 2017-04-20 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20170107225-A1 | HETEROARYL DERIVATIVES AS CFTR MODULATORS | CFTR, ABCB1, ABCD3 | PSMB5 1718/4885CYP1A2 2294/4885CYP2C9 1836/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.