Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.35 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.34 |
| ▸ | MMP13 | P45452 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL7419141 | 0.88 | AGER (0.39) | PRMT5 | |
| SCHEMBL7414878 | 0.85 | BACE1 (0.41) | CTSSKMT2AALDH1A1SMN1; SMN2PRMT5 | |
| SCHEMBL7014338 | 0.85 | CTSS (0.44) | CTSSKMT2AALDH1A1ADRB1 | |
| SCHEMBL7417235 | 0.83 | L3MBTL1 (0.35) | KMT2AALDH1A1KDM4ESMN1; SMN2MEN1 | |
| SCHEMBL7422438 | 0.82 | PKM (0.42) | CTSSKMT2AALDH1A1MEN1PKM | |
| SCHEMBL7420982 | 0.80 | CTSL (0.36) | CTSSALDH1A1ADRB1KDM4EEPHX2 | |
| SCHEMBL7413191 | 0.79 | CTSS (0.37) | CTSSALDH1A1KDM4EEPHX2MMP13 | |
| SCHEMBL7420985 | 0.79 | ALDH1A1 (0.43) | KMT2AALDH1A1ADRB1KDM4ESMN1; SMN2 | |
| SCHEMBL7413188 | 0.77 | CTSS (0.39) | CTSSALDH1A1KDM4ESMN1; SMN2MMP13 | |
| SCHEMBL6371524 | 0.74 | L3MBTL1 (0.40) | CTSSKMT2AALDH1A1KDM4EMEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2003529546-A | — | — | 2003-10-07 | — | — | JP | claimed |
| EP-1218372-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | Boehringer Ingelheim Pharmaceuticals, Inc. (US) | 2002-07-03 | — | — | EP | claimed |
| WO-2001019816-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2001-03-22 | — | — | WO | claimed |
| 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 |