Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | MGAM | O43451 | 1/20 | 0.44 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.44 |
| ▸ | SI | P14410 | 1/20 | 0.44 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | NSD2 | O96028 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | GLS | O94925 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.39 |
| ▸ | TXNRD1 | Q16881 | 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 | |
|---|---|---|---|---|
| SCHEMBL20986085 | 0.89 | ALDH1A1 (0.46) | ALDH1A1GAAMGAMAMY1ASI | |
| SCHEMBL19911535 | 0.84 | HCAR3 (0.55) | ALDH1A1GAAMGAMAMY1ASI | |
| SCHEMBL19911532 | 0.82 | HCAR3 (0.57) | ALDH1A1GAAMGAMAMY1ASI | |
| SCHEMBL19911537 | 0.81 | ALDH1A1 (0.47) | ALDH1A1GAAMGAMAMY1ASI | |
| SCHEMBL19911547 | 0.81 | ALDH1A1 (0.44) | ALDH1A1GAAMGAMAMY1ASI | |
| SCHEMBL19911531 | 0.80 | HCAR3 (0.59) | ALDH1A1GAAMGAMAMY1ASI | |
| SCHEMBL19911558 | 0.78 | HCAR3 (0.55) | ALDH1A1GAACYP1A2MAPTNSD2 | |
| SCHEMBL2001605 | 0.78 | HCAR3 (0.43) | ATMMAPTHCAR3 | |
| SCHEMBL19911534 | 0.78 | ALDH1A1 (0.44) | ALDH1A1GAAMGAMAMY1ASI | |
| SCHEMBL19911543 | 0.78 | ALDH1A1 (0.44) | ALDH1A1GAAMGAMAMY1ASI |
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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2705024-B1 | Alkyne benzotriazole derivatives | MERCK SHARP & DOHME (US) | 2015-12-16 | — | — | EP | disclosed |
| US-9139576-B2 | Aminomethyl biaryl benzotriazole derivatives | MERCK SHARP & DOHME CORP. (US) | 2015-09-22 | — | — | US | disclosed |
| US-9139576-B2 | Aminomethyl biaryl benzotriazole derivatives | MERCK SHARP & DOHME CORP. (US) | 2015-09-22 | — | — | US | disclosed |
| US-9139576-B2 | Aminomethyl biaryl benzotriazole derivatives | MERCK SHARP & DOHME CORP. (US) | 2015-09-22 | — | — | US | disclosed |
| 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-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-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-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 |
| US-20120135977-A1 | ETHER BENZOTRIAZOLE DERIVATIVES | MERCK SHARP & DOHME LLC | 2012-05-31 | — | — | US | disclosed |
| WO-2010141360-A1 | BIARYL BENZOTRIAZOLE DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2010-12-09 | — | — | WO | disclosed |
| WO-2010141360-A1 | BIARYL BENZOTRIAZOLE DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2010-12-09 | — | — | WO | disclosed |
| WO-2010114726-A1 | AMINOBENZOTRIAZOLE DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2010-10-07 | — | — | WO | disclosed |
| WO-2010114726-A1 | AMINOBENZOTRIAZOLE DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2010-10-07 | — | — | 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 (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 3327/4885GAA 2583/4885MGAM 3469/4885 |
| US-20120135977-A1 | ETHER BENZOTRIAZOLE DERIVATIVES | GRM2, GRIA2, GRIK2 | ALDH1A1 3327/4885GAA 2583/4885MGAM 3469/4885 |
“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.