Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 3/20 | 0.35 |
| ▸ | CNR2 | P34972 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | METAP2 | P50579 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.31 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.31 |
| ▸ | CTSL | P07711 | 3/20 | 0.31 |
| ▸ | CTSS | P25774 | 3/20 | 0.31 |
| ▸ | CTSK | P43235 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5409955 | 0.83 | EPHX2 (0.47) | ALDH1A1EPHX2CTSLCTSSCTSK | |
| SCHEMBL6693494 | 0.83 | SLC6A9 (0.37) | PARP10RAB9A | |
| SCHEMBL5404160 | 0.82 | EPHX2 (0.46) | ALDH1A1EPHX2CTSLCTSSCTSK | |
| SCHEMBL6685923 | 0.78 | RAB9A (0.38) | CTSLCTSSCTSKRAB9A | |
| SCHEMBL6693491 | 0.77 | NPC1 (0.42) | ALDH1A1TDP1KMT2AMEN1EPHX2 | |
| SCHEMBL6688679 | 0.77 | NPC1 (0.39) | ALDH1A1TDP1KMT2AMEN1EPHX2 | |
| SCHEMBL6688042 | 0.76 | HTR7 (0.39) | ALDH1A1TDP1KMT2AMEN1PARP15 | |
| SCHEMBL6693564 | 0.76 | CDK1 (0.37) | PARP15PARP10CTSS | |
| SCHEMBL6690542 | 0.76 | RORC (0.41) | ALDH1A1KMT2AMEN1NPSR1 | |
| SCHEMBL6685681 | 0.76 | EPHX2 (0.48) | ALDH1A1CNR2KMT2AMETAP2MEN1 |
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 |