Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | LMNA | P02545 | 5/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | XDH | P47989 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1981640 | 0.85 | VCAM1 (0.56) | VCAM1ALDH1A1LMNAXDHGAA | |
| SCHEMBL16953611 | 0.83 | VCAM1 (0.58) | VCAM1ALDH1A1LMNAXDHGAA | |
| SCHEMBL1231130 | 0.83 | VCAM1 (0.54) | VCAM1ALDH1A1LMNAXDHGAA | |
| SCHEMBL4612729 | 0.83 | VCAM1 (0.54) | VCAM1ALDH1A1LMNAXDHGAA | |
| SCHEMBL19006333 | 0.83 | VCAM1 (0.48) | VCAM1ALDH1A1LMNALOXL2XDH | |
| SCHEMBL31125161 | 0.81 | VCAM1 (0.51) | VCAM1ALDH1A1LMNAXDHGAA | |
| SCHEMBL27727098 | 0.81 | VCAM1 (0.51) | VCAM1ALDH1A1LMNAXDHGAA | |
| SCHEMBL19753971 | 0.80 | VCAM1 (0.50) | VCAM1ALDH1A1LMNAXDHGAA | |
| SCHEMBL28871021 | 0.80 | VCAM1 (0.50) | VCAM1ALDH1A1LMNAXDHGAA | |
| SCHEMBL19742534 | 0.78 | VCAM1 (0.49) | VCAM1ALDH1A1LMNAXDHGAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011017296-A1 | 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS | SCHERING CORPORATION (US) | 2011-02-10 | — | — | WO | disclosed |