Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.36 |
| ▸ | THRA | P10827 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | VDR | P11473 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | NR3C2 | P08235 | 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 | |
|---|---|---|---|---|
| SCHEMBL7419245 | 0.91 | SIGMAR1 (0.41) | ALDH1A1SIGMAR1TMEM97 | |
| SCHEMBL7420982 | 0.80 | CTSL (0.36) | ALDH1A1KDM4EADRB1EPHX2NR1H4 | |
| SCHEMBL7014342 | 0.79 | CTSS (0.41) | ALDH1A1KDM4ESMN1; SMN2ADRB1EPHX2 | |
| SCHEMBL7420196 | 0.77 | CTSS (0.36) | KMT2AMEN1 | |
| SCHEMBL7014338 | 0.75 | CTSS (0.44) | ALDH1A1ADRB1KMT2A | |
| SCHEMBL7420191 | 0.67 | SNCA (0.34) | — | |
| SCHEMBL10645072 | 0.67 | SIGMAR1 (0.68) | ALDH1A1KDM4ESIGMAR1TMEM97OPRK1 | |
| SCHEMBL7419141 | 0.65 | AGER (0.39) | SIGMAR1TMEM97 | |
| SCHEMBL10643150 | 0.65 | OPRK1 (0.66) | ALDH1A1KDM4ESMN1; SMN2THRBOPRK1 | |
| SCHEMBL7413191 | 0.64 | CTSS (0.37) | ALDH1A1KDM4ESIGMAR1TMEM97EPHX2 |
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 |