Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | EBP | Q15125 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6686989 | 0.90 | BTK (0.35) | RAB9ANPC1EBPSIGMAR1ALDH1A1 | |
| SCHEMBL6688322 | 0.87 | TP53 (0.43) | RAB9ANPC1ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL6690873 | 0.85 | RAB9A (0.40) | RAB9ANPC1ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL6686689 | 0.82 | ALDH1A1 (0.36) | RAB9ANPC1MAPTALDH1A1MEN1 | |
| SCHEMBL6685681 | 0.81 | EPHX2 (0.48) | RAB9ANPC1CYP2C19MAPTALDH1A1 | |
| SCHEMBL6687208 | 0.79 | TRPA1 (0.35) | CYP2C19ALDH1A1MEN1KMT2ACYP3A4 | |
| SCHEMBL6685915 | 0.79 | RAB9A (0.35) | RAB9ANPC1ALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL6685923 | 0.79 | RAB9A (0.38) | RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL6693491 | 0.77 | NPC1 (0.42) | RAB9ANPC1MAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL6688042 | 0.77 | HTR7 (0.39) | NPC1CYP2C19MAPTALDH1A1SMN1; SMN2 |
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 |