Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | PGR | P06401 | 6/20 | 0.49 |
| ▸ | AR | P10275 | 1/20 | 0.49 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.46 |
| ▸ | XDH | P47989 | 2/20 | 0.45 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.42 |
| ▸ | GSK3A | P49840 | 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 | |
|---|---|---|---|---|
| SCHEMBL21388680 | 0.84 | ALDH1A1 (0.65) | ALDH1A1CYP3A4TSHRTDP1PGR | |
| SCHEMBL5952080 | 0.84 | MEN1 (0.54) | TDP1PGRARMAP4K4CLK4 | |
| SCHEMBL10248395 | 0.79 | HSD17B1 (0.59) | CYP3A4PGRARCLK4XDH | |
| SCHEMBL5844552 | 0.79 | XDH (0.60) | CYP3A4PGRARMAP4K4CLK4 | |
| SCHEMBL627108 | 0.79 | CYP3A4 (0.50) | ALDH1A1CYP3A4TSHRTDP1PGR | |
| SCHEMBL2154026 | 0.79 | CLK4 (0.65) | TSHRPGRMAP4K4CLK4XDH | |
| Orthotolidine SCHEMBL2812115 | 0.79 | CYP3A4 (0.94) | ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL1143498 | 0.78 | MAP4K4 (0.54) | CYP3A4TDP1PGRMAP4K4CLK4 | |
| SCHEMBL16905206 | 0.78 | CLK4 (0.52) | PGRARMAP4K4CLK4ADORA2A | |
| SCHEMBL4443914 | 0.78 | ALDH1A1 (0.52) | ALDH1A1CYP3A4PGRARMAP4K4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170305897-A1 | BENZIMIDAZOLE-PROLINE DERIVATIVES | IDORSIA PHARMACEUTICALS LTD (CH) | 2017-10-26 | — | — | US | disclosed |
| US-9732075-B2 | Benzimidazole-proline derivatives | IDORSIA PHARMACEUTICALS LTD (CH) | 2017-08-15 | — | — | US | disclosed |
| EP-2855453-B1 | BENZIMIDAZOLE-PROLINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2016-12-07 | — | — | EP | disclosed |
| US-20150166527-A1 | BENZIMIDAZOLE-PROLINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2015-06-18 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20150166527-A1 | BENZIMIDAZOLE-PROLINE DERIVATIVES | HCRTR1, HCRTR2, NPY1R | ALDH1A1 519/4885CYP3A4 1012/4885TSHR 342/4885 |
| US-20170305897-A1 | BENZIMIDAZOLE-PROLINE DERIVATIVES | HCRTR1, HCRTR2, NPY1R | ALDH1A1 604/4885CYP3A4 1106/4885TSHR 346/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.