Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 5/20 | 0.36 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.35 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | IDH1 | O75874 | 1/20 | 0.33 |
| ▸ | OGA | O60502 | 3/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5346017 | 0.99 | HSD11B1 (0.36) | HSD11B1ACHEMBTD1L3MBTL3ALDH1A1 | |
| SCHEMBL5343241 | 0.89 | CHRM2 (0.41) | HSD11B1ACHEALDH1A1OGACHRM2 | |
| Hydrochloric Acid SCHEMBL5343678 | 0.88 | CHRM2 (0.41) | HSD11B1ACHEALDH1A1OGACHRM2 | |
| SCHEMBL5350819 | 0.86 | TSHR (0.41) | ALDH1A1POLBMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL5339938 | 0.86 | CYP2D6 (0.40) | MBTD1L3MBTL3ALDH1A1CHRM2CHRM1 | |
| SCHEMBL5347702 | 0.80 | HSD11B1 (0.35) | HSD11B1ACHE | |
| SCHEMBL5347696 | 0.80 | HRH3 (0.51) | — | |
| Hydrochloric Acid SCHEMBL5346025 | 0.80 | HSD11B1 (0.35) | HSD11B1ACHE | |
| Hydrochloric Acid SCHEMBL5346020 | 0.79 | HRH3 (0.50) | — | |
| SCHEMBL5344095 | 0.79 | ALDH1A1 (0.40) | ALDH1A1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-7208495-B2 | Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-04-24 | — | — | US | claimed |