Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1B | P47901 | 11/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | GHSR | Q92847 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6887249 | 0.91 | CHRNA1 (0.39) | AVPR1BPIK3CACYP2D6POLBALDH1A1 | |
| SCHEMBL6886862 | 0.83 | AVPR1B (0.39) | AVPR1BCYP1A2 | |
| SCHEMBL6888242 | 0.82 | CHRNA1 (0.43) | CYP2D6IDO1TDO2IDO2HRH3 | |
| SCHEMBL6886339 | 0.80 | CHRNA7 (0.39) | AVPR1BALDH1A1TSHR | |
| SCHEMBL6888036 | 0.79 | CHRNA7 (0.43) | CYP2D6IDO1TDO2IDO2GHSR | |
| SCHEMBL6889695 | 0.78 | CHRNA7 (0.38) | AVPR1BALDH1A1 | |
| SCHEMBL6887812 | 0.78 | CHRNA7 (0.36) | CYP2D6ALDH1A1HRH3GHSR | |
| SCHEMBL6887594 | 0.78 | CHRNA7 (0.44) | CYP2D6IDO1TDO2IDO2GHSR | |
| SCHEMBL6887309 | 0.78 | AVPR1B (0.41) | AVPR1B | |
| SCHEMBL6888232 | 0.76 | CHRNA7 (0.40) | CYP2D6GHSR |
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-8841289-B2 | Heterocyclic derivatives | MERCK SHARP & DOHME B.V. (US) | 2014-09-23 | — | — | US | disclosed |
| US-8841289-B2 | Heterocyclic derivatives | MERCK SHARP & DOHME B.V. (US) | 2014-09-23 | — | — | US | disclosed |
| US-20120208796-A1 | HETEROCYCLIC DERIVATIVES | ORGANON BIOSCIENCES NEDERLAND B.V. (NL) | 2012-08-16 | — | — | US | disclosed |
| US-20120208796-A1 | HETEROCYCLIC DERIVATIVES | ORGANON BIOSCIENCES NEDERLAND B.V. (NL) | 2012-08-16 | — | — | 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 (1 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-20120208796-A1 | HETEROCYCLIC DERIVATIVES | CHRNA5, CHRM5, CHRNA7 | AVPR1B 76/4885PIK3CA 3836/4885CYP2D6 265/4885 |
“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.