Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 3/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | NPY2R | P49146 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | RXRA | P19793 | 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 | |
|---|---|---|---|---|
| SCHEMBL6531011 | 1.00 | MIF (0.41) | MIFROCK2CYP3A4NOTUMAPP | |
| SCHEMBL6529976 | 0.89 | NOTUM (0.41) | MIFNOTUMCA1CA2CA4 | |
| SCHEMBL6527596 | 0.88 | NOTUM (0.42) | MIFNOTUMCA1CA2CA4 | |
| SCHEMBL6532028 | 0.88 | NOTUM (0.40) | MIFNOTUMALDH1A1KDM4ECA1 | |
| SCHEMBL6527383 | 0.88 | NOTUM (0.40) | MIFNOTUMALDH1A1KDM4ECA1 | |
| SCHEMBL6528013 | 0.85 | NOTUM (0.46) | MIFCYP3A4NOTUMCA1CA2 | |
| SCHEMBL6532001 | 0.84 | F10 (0.43) | MIFNOTUMALDH1A1KDM4ECA1 | |
| SCHEMBL6531150 | 0.83 | NOTUM (0.42) | MIFNOTUMALDH1A1KDM4ECA1 | |
| SCHEMBL6530200 | 0.82 | NOTUM (0.41) | MIFNOTUMALDH1A1KDM4ECA1 | |
| SCHEMBL6527037 | 0.82 | NOTUM (0.41) | MIFNOTUMALDH1A1CA1CA2 |
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-2005082892-A2 | TRIAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S LABORATORIES LTD. (IN) | 2005-09-09 | — | — | WO | disclosed |