Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | CCR2 | P41597 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20037330 | 0.82 | KMT2A (0.46) | MCL1KMT2ADAOALDH1A1TSHR | |
| SCHEMBL6287877 | 0.77 | HTR4 (0.41) | MCL1KMT2ADAOKDM4EGAA | |
| SCHEMBL21359462 | 0.76 | OXER1 (0.46) | MCL1ALDH1A1 | |
| SCHEMBL6286028 | 0.73 | HTR4 (0.38) | MCL1KMT2ADAOALDH1A1HPGD | |
| SCHEMBL6286022 | 0.73 | HTR4 (0.38) | MCL1KMT2ADAOALDH1A1HPGD | |
| SCHEMBL11397353 | 0.73 | ALDH1A1 (0.41) | KMT2APTGDR2ALDH1A1TSHRKDM4E | |
| SCHEMBL18258624 | 0.72 | KMT2A (0.53) | KMT2AALDH1A1KDM4EMEN1HTT | |
| SCHEMBL18180382 | 0.72 | KMT2A (0.45) | KMT2AKDM4EGAACASP1CASP7 | |
| SCHEMBL150034 | 0.72 | KMT2A (0.53) | KMT2AALDH1A1KDM4EMEN1HTT | |
| SCHEMBL3842692 | 0.70 | DAO (0.46) | MCL1KMT2ADAOCCR2ALDH1A1 |
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-1963281-A2 | HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS | Vertex Pharmaceuticals, Inc. (US) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007075895-A2 | HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-07-05 | — | — | WO | disclosed |