Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 2/20 | 0.39 |
| ▸ | ESRRG | P62508 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | PTGER4 | P35408 | 4/20 | 0.37 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.36 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6878766 | 0.96 | KDM4E (0.46) | KDM4ESMN1; SMN2MEN1KMT2ALTA4H | |
| SCHEMBL6877133 | 0.85 | ALDH1A1 (0.42) | KDM4ESMN1; SMN2MEN1KMT2ALTA4H | |
| Dimethylaminoethanol SCHEMBL6881039 | 0.83 | ALDH1A1 (0.42) | KDM4ESMN1; SMN2MEN1KMT2AALDH1A1 | |
| SCHEMBL5802878 | 0.78 | ALDH1A1 (0.44) | KDM4ESMN1; SMN2MEN1KMT2AALDH1A1 | |
| SCHEMBL6880040 | 0.77 | SCN9A (0.48) | KDM4ESMN1; SMN2MEN1KMT2ALTA4H | |
| Dimethylaminoethanol SCHEMBL6880217 | 0.76 | TACR1 (0.46) | — | |
| Dimethylaminoethanol SCHEMBL6016393 | 0.76 | PAICS (0.39) | KDM4ESMN1; SMN2MEN1KMT2AALDH1A1 | |
| SCHEMBL6866149 | 0.73 | KDM4E (0.44) | KDM4ESMN1; SMN2ESRRGALDH1A1 | |
| SCHEMBL6878697 | 0.73 | SCN9A (0.45) | KDM4ESMN1; SMN2MEN1KMT2ALTA4H | |
| SCHEMBL5803604 | 0.73 | TACR1 (0.42) | — |
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-6787539-B2 | HAS ACTIVITY AS AN ANTAGONIST TO NEUROKININ 1 RECEPTORS; FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA (BPH) | HOFFMANN-LA ROCHE INC. | 2004-09-07 | — | — | US | disclosed |
| EP-1339698-A2 | PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-09-03 | — | — | EP | disclosed |
| US-20020099207-A1 | 2,4,5,-trisubstituted pyrimidine derivatives | HOFFMANN-LA ROCHE INC. | 2002-07-25 | — | — | US | disclosed |
| WO-2002042280-A2 | PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-05-30 | — | — | 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-20020099207-A1 | 2,4,5,-trisubstituted pyrimidine derivatives | TACR1, TACR2, P2RY2 | KDM4E 3664/4885SMN1; SMN2 2324/4885MEN1 3228/4885 |
“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.