Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGER4 | P35408 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | MMP14 | P50281 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | VCP | P55072 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11894146 | 0.88 | PTGER4 (0.46) | PTGER4ALDH1A1MAPTKDM4ERAB9A | |
| SCHEMBL12798695 | 0.88 | PTGER4 (0.46) | PTGER4ALDH1A1MAPTKDM4ERAB9A | |
| SCHEMBL11894145 | 0.88 | PTGER4 (0.46) | PTGER4ALDH1A1MAPTKDM4ERAB9A | |
| SCHEMBL7820003 | 0.88 | PTGER4 (0.54) | PTGER4ALDH1A1CYP3A4CNR2MAPT | |
| SCHEMBL2798576 | 0.81 | GAA (0.41) | ALDH1A1CYP3A4MAPTMEN1THRB | |
| SCHEMBL16407624 | 0.79 | GAA (0.54) | ALDH1A1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL29624960 | 0.78 | ALDH1A1 (0.48) | ALDH1A1CYP3A4MAPTMEN1THRB | |
| SCHEMBL2019104 | 0.78 | ALDH1A1 (0.48) | ALDH1A1CYP3A4MAPTMEN1THRB | |
| SCHEMBL23356660 | 0.77 | MAOB (0.46) | ALDH1A1MAPTGAARAB9AHPGD | |
| SCHEMBL10293 | 0.77 | ALDH1A1 (0.48) | ALDH1A1CYP3A4MAPTKDM4ELMNA |
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-8772276-B2 | Alkyne benzotriazole derivatives | MERCK SHARP & DOHME CORP. (US) | 2014-07-08 | — | — | US | disclosed |
| US-20140088112-A1 | ALKYNE BENZOTRIAZOLE DERIVATIVES | MERCK SHARP & DOHME LLC | 2014-03-27 | — | — | US | disclosed |
| EP-2704573-A1 | AMINOMETHYL BIARYL BENZOTRIAZOLE DERIVATIVES | Merck Sharp & Dohme Corp. (US) | 2014-03-12 | — | — | EP | disclosed |
| WO-2012151136-A1 | AMINOMETHYL BIARYL BENZOTRIAZOLE DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2012-11-08 | — | — | WO | 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-20140088112-A1 | ALKYNE BENZOTRIAZOLE DERIVATIVES | GRM2, GRIA2, GRM3 | PTGER4 1555/4885ALDH1A1 1808/4885CYP3A4 3503/4885 |
“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.