Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | THRB | P10828 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | RECQL | P46063 | 2/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12933389 | 0.81 | GAA (0.50) | ALDH1A1MAPTMEN1KMT2AGAA | |
| SCHEMBL8348984 | 0.81 | ALDH1A1 (0.51) | ALDH1A1MAPTMEN1THRBKMT2A | |
| SCHEMBL5697163 | 0.79 | ALDH1A1 (0.50) | ALDH1A1MAPTMEN1THRBKMT2A | |
| SCHEMBL29703916 | 0.78 | ALDH1A1 (0.53) | ALDH1A1MAPTMEN1THRBKMT2A | |
| SCHEMBL431525 | 0.78 | ALDH1A1 (0.53) | ALDH1A1MAPTMEN1THRBKMT2A | |
| SCHEMBL29703915 | 0.78 | ALDH1A1 (0.53) | ALDH1A1MAPTMEN1THRBKMT2A | |
| Hydrochloric Acid SCHEMBL11039565 | 0.77 | ALDH1A1 (0.57) | ALDH1A1MAPTMEN1THRBKMT2A | |
| SCHEMBL8371590 | 0.77 | ALDH1A1 (0.47) | ALDH1A1MAPTMEN1THRBKMT2A | |
| SCHEMBL12933392 | 0.76 | RAB9A (0.40) | ALDH1A1MAPTMEN1KMT2AGAA | |
| SCHEMBL8611589 | 0.76 | CYP3A4 (0.42) | ALDH1A1MAPTTHRBKMT2AGAA |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8975286-B2 | Ether benzotriazole derivatives | MERCK SHARP & DOHME CORP. (US) | 2015-03-10 | — | — | US | disclosed |
| US-8975286-B2 | Ether benzotriazole derivatives | MERCK SHARP & DOHME CORP. (US) | 2015-03-10 | — | — | US | disclosed |
| US-8785481-B2 | Ether benzotriazole derivatives | MERCK SHARP & DOHME CORP. (US) | 2014-07-22 | — | — | US | disclosed |
| US-8785481-B2 | Ether benzotriazole derivatives | MERCK SHARP & DOHME CORP. (US) | 2014-07-22 | — | — | US | disclosed |
| US-20120149677-A1 | ETHER BENZOTRIAZOLE DERIVATIVES | MERCK SHARP & DOHME LLC | 2012-06-14 | — | — | US | disclosed |
| US-20120149677-A1 | ETHER BENZOTRIAZOLE DERIVATIVES | MERCK SHARP & DOHME LLC | 2012-06-14 | — | — | US | disclosed |
| US-20120135977-A1 | ETHER BENZOTRIAZOLE DERIVATIVES | MERCK SHARP & DOHME LLC | 2012-05-31 | — | — | US | disclosed |
| US-20120135977-A1 | ETHER BENZOTRIAZOLE DERIVATIVES | MERCK SHARP & DOHME LLC | 2012-05-31 | — | — | 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-20120149677-A1 | ETHER BENZOTRIAZOLE DERIVATIVES | GRM2, GRIA2, GRIK2 | ALDH1A1 3327/4885MAPT 362/4885MEN1 4800/4885 |
| US-20120135977-A1 | ETHER BENZOTRIAZOLE DERIVATIVES | GRM2, GRIA2, GRIK2 | ALDH1A1 3327/4885MAPT 362/4885MEN1 4800/4885 |
“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.