Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CHEK2 | O96017 | 3/20 | 0.41 |
| ▸ | F10 | P00742 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.37 |
| ▸ | ACHE | P22303 | 3/20 | 0.37 |
| ▸ | ACACB | O00763 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | FABP6 | P51161 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | ATG4B | Q9Y4P1 | 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 | |
|---|---|---|---|---|
| SCHEMBL7846418 | 0.88 | MCHR1 (0.64) | MCHR1CHEK2F10HRH3ACHE | |
| Hydrochloric Acid SCHEMBL7847176 | 0.85 | KMT2A (0.46) | KMT2ACHEK2F10HRH3ACACB | |
| SCHEMBL7850512 | 0.84 | MCHR1 (0.57) | MCHR1F10HRH3ACHEACACB | |
| Hydrochloric Acid SCHEMBL7852567 | 0.84 | MCHR1 (0.57) | MCHR1F10HRH3ACHEACACB | |
| SCHEMBL7838728 | 0.80 | MCHR1 (0.75) | MCHR1CHEK2HRH3ACHEACACB | |
| SCHEMBL7846875 | 0.79 | GPR119 (0.50) | CHEK2ACACB | |
| SCHEMBL7838157 | 0.79 | HRH3 (0.44) | MCHR1KMT2AF10HRH3ACHE | |
| Hydrochloric Acid SCHEMBL7847077 | 0.79 | ACHE (0.47) | MCHR1KMT2AF10HRH3ACHE | |
| SCHEMBL7850981 | 0.77 | CHEK2 (0.47) | MCHR1KMT2ACHEK2F10HRH3 | |
| SCHEMBL7838252 | 0.76 | GPR119 (0.50) | CHEK2HRH3ACACB |
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-1122252-A1 | NITROGENOUS FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME | Takeda Chemical Industries, Ltd. (JP) | 2001-08-08 | — | — | EP | claimed |
| EP-1122252-A1 | NITROGENOUS FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME | Takeda Chemical Industries, Ltd. (JP) | 2001-08-08 | — | — | EP | disclosed |