Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 12/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | MGLL | Q99685 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6663653 | 1.00 | HSD11B1 (0.55) | HSD11B1CYP2C19ALDH1A1POLBHTT | |
| Hydrochloric Acid SCHEMBL6906622 | 0.85 | KMT2A (0.50) | HSD11B1ALDH1A1POLBKMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL6655911 | 0.85 | KMT2A (0.50) | HSD11B1ALDH1A1POLBKMT2AKDM4E | |
| SCHEMBL6657701 | 0.81 | CYP2D6 (0.47) | LMNAKMT2A | |
| Hydrochloric Acid SCHEMBL6662534 | 0.81 | OPRM1 (0.44) | CYP2C19ALDH1A1POLBKMT2AKDM4E | |
| SCHEMBL6908373 | 0.81 | CYP2D6 (0.47) | LMNAKMT2A | |
| Hydrochloric Acid SCHEMBL6662527 | 0.81 | OPRM1 (0.44) | CYP2C19ALDH1A1POLBKMT2AKDM4E | |
| SCHEMBL6908168 | 0.79 | L3MBTL1 (0.50) | — | |
| SCHEMBL6659429 | 0.79 | L3MBTL1 (0.50) | — | |
| SCHEMBL6662353 | 0.78 | DPP8 (0.50) | ALDH1A1LMNAMGLL |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1441728-A2 | MODULATORS OF THE CHOLESTEROL BIOSYNTHETIC PATHWAY | Vertex Pharmaceuticals Incorporated (US) | 2004-08-04 | — | — | EP | disclosed |
| WO-2003037338-A2 | MODULATORS OF THE CHOLESTEROL BIOSYNTHETIC PATHWAY | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-05-08 | — | — | WO | disclosed |
| EP-1257544-A2 | PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE | Vertex Pharmaceuticals Incorporated (US) | 2002-11-20 | — | — | EP | disclosed |
| WO-2001058891-A2 | PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2001-08-16 | — | — | WO | disclosed |