Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.33 |
| ▸ | NAMPT | P43490 | 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 | |
|---|---|---|---|---|
| SCHEMBL2099208 | 0.87 | CES2 (0.42) | ALDH1A1CYP1A2KMT2ANPSR1LMNA | |
| SCHEMBL2936991 | 0.86 | CA12 (0.37) | ALDH1A1CYP1A2KMT2ALMNAHSD17B10 | |
| SCHEMBL6779593 | 0.86 | ALDH1A1 (0.49) | ALDH1A1CYP1A2KMT2ANPSR1LMNA | |
| SCHEMBL6781754 | 0.85 | ALDH1A1 (0.37) | ALDH1A1CYP1A2KMT2ANPSR1LMNA | |
| SCHEMBL6700604 | 0.84 | MAPT (0.41) | ALDH1A1KMT2AMAPT | |
| SCHEMBL7140563 | 0.82 | CYP1A2 (0.54) | ALDH1A1CYP1A2KMT2ANPSR1LMNA | |
| Bromide SCHEMBL6284177 | 0.81 | CYP1A2 (0.53) | ALDH1A1CYP1A2KMT2ANPSR1LMNA | |
| SCHEMBL2099038 | 0.81 | ALDH1A1 (0.42) | ALDH1A1CYP1A2KMT2ALMNAMAPK1 | |
| SCHEMBL7141616 | 0.79 | RAB9A (0.42) | ALDH1A1CYP1A2KMT2ALMNATP53 | |
| SCHEMBL2935375 | 0.79 | LMNA (0.36) | ALDH1A1CYP1A2KMT2ALMNAHSD17B10 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040044226-A1 | Estrogen receptor modulators | DININNO FRANK P (US) | 2004-03-04 | — | — | US | disclosed |
| EP-1333827-A2 | ESTROGEN RECEPTOR MODULATORS | Merck & Co., Inc. (US) | 2003-08-13 | — | — | EP | disclosed |
| EP-1328522-A2 | ESTROGEN RECEPTOR MODULATORS | Merck & Co., Inc. (US) | 2003-07-23 | — | — | EP | disclosed |
| WO-2002032377-A2 | ESTROGEN RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2002-04-25 | — | — | WO | disclosed |
| WO-2002032373-A2 | ESTROGEN RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2002-04-25 | — | — | 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-20040044226-A1 | Estrogen receptor modulators | GPER1, ESR2, ESRRA | ALDH1A1 1455/4885CYP1A2 731/4885KMT2A 1157/4885 |
“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.