Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | FPR2 | P25090 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TNF | P01375 | 1/20 | 0.34 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.33 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6685688 | 0.89 | KIF11 (0.38) | ALDH1A1SMN1; SMN2POLBL3MBTL1EPHX1 | |
| SCHEMBL6685718 | 0.82 | TDP1 (0.48) | ALDH1A1POLBL3MBTL1KDM4EEPHX1 | |
| SCHEMBL6689998 | 0.75 | EPHX1 (0.48) | L3MBTL1EPHX1 | |
| SCHEMBL6688717 | 0.74 | SMN1; SMN2 (0.50) | ALDH1A1SMN1; SMN2L3MBTL1TSHRMEN1 | |
| SCHEMBL6690797 | 0.74 | POLB (0.39) | ALDH1A1SMN1; SMN2POLBL3MBTL1TSHR | |
| SCHEMBL6689996 | 0.67 | ALDH1A1 (0.35) | ALDH1A1SMN1; SMN2POLBEPHX1MEN1 | |
| SCHEMBL6686849 | 0.67 | CTSS (0.48) | EPHX1 | |
| SCHEMBL5404869 | 0.67 | CTSS (0.48) | EPHX1 | |
| SCHEMBL5499131 | 0.66 | CTSS (0.57) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL6690874 | 0.65 | TDP1 (0.47) | ALDH1A1POLBL3MBTL1KDM4EEPHX1 |
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-2004084843-A2 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2004-10-07 | — | — | WO | disclosed |