Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.36 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.34 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7014342 | 0.85 | CTSS (0.41) | CTSSMEN1KMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL7419141 | 0.84 | AGER (0.39) | LMNAHTTTMEM97SIGMAR1PRMT5 | |
| SCHEMBL7414874 | 0.84 | CTSS (0.46) | BACE1CTSS | |
| SCHEMBL7417235 | 0.79 | L3MBTL1 (0.35) | LMNAHTTMEN1KMT2AALDH1A1 | |
| SCHEMBL7422438 | 0.79 | PKM (0.42) | CTSSLMNAMCHR1MEN1KMT2A | |
| SCHEMBL7413191 | 0.75 | CTSS (0.37) | CTSSLMNAHTTALDH1A1RAB9A | |
| SCHEMBL7420833 | 0.75 | L3MBTL1 (0.41) | CTSSHTTMEN1KMT2AALDH1A1 | |
| SCHEMBL7413188 | 0.74 | CTSS (0.39) | CTSSLMNAHTTALDH1A1SMN1; SMN2 | |
| SCHEMBL7414894 | 0.71 | CTSS (0.45) | BACE1CTSS | |
| SCHEMBL7415423 | 0.70 | CTSS (0.43) | BACE1CTSS |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1218372-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | Boehringer Ingelheim Pharmaceuticals, Inc. (US) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001019816-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2001-03-22 | — | — | WO | disclosed |