Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | MGLL | Q99685 | 1/20 | 0.46 |
| ▸ | MPO | P05164 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.43 |
| ▸ | CETP | P11597 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9835938 | 0.84 | CES2 (0.49) | CES2MEN1KMT2AMAPTSRD5A2 | |
| SCHEMBL11174926 | 0.81 | TACR1 (0.50) | CES2MEN1KMT2AMAPTSRD5A2 | |
| SCHEMBL1013242 | 0.81 | CES2 (0.49) | CES2MEN1KMT2AMAPTSRD5A2 | |
| SCHEMBL2094545 | 0.81 | MEN1 (0.49) | CES2MEN1KMT2AMAPTSRD5A2 | |
| SCHEMBL1703719 | 0.81 | CES2 (0.49) | CES2MEN1KMT2AMAPTSRD5A2 | |
| SCHEMBL7592350 | 0.78 | TSHR (0.52) | CES2MEN1KMT2AMAPTMGLL | |
| SCHEMBL23636332 | 0.78 | TP53 (0.48) | CES2MEN1KMT2AMAPTSRD5A2 | |
| SCHEMBL440958 | 0.78 | RXFP1 (0.43) | CES2MAPTMGLLLMNATP53 | |
| SCHEMBL20560278 | 0.77 | MGLL (0.44) | CES2MEN1KMT2AMAPTMGLL | |
| SCHEMBL28102660 | 0.77 | CES2 (0.48) | CES2SRD5A2RAB9AMGLLALDH1A1 |
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-2324029-A2 | HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE | Kalypsys, Inc. (US) | 2011-05-25 | — | — | EP | disclosed |
| WO-2010030785-A2 | HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE | KALYPSYS INC. (US) | 2010-03-18 | — | — | WO | disclosed |