Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.45 |
| ▸ | JAK3 | P52333 | 1/20 | 0.45 |
| ▸ | BTK | Q06187 | 1/20 | 0.45 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.43 |
| ▸ | REN | P00797 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | USP2 | O75604 | 4/20 | 0.43 |
| ▸ | CASP1 | P29466 | 3/20 | 0.43 |
| ▸ | CASP7 | P55210 | 3/20 | 0.43 |
| ▸ | HTR1A | P08908 | 3/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Methylpiperazine SCHEMBL6877079 | 0.93 | HTR1A (0.41) | LCKJAK3BTKTNK2HTR2C | |
| SCHEMBL5803607 | 0.88 | HTR1A (0.46) | CYP1A2ALDH1A1HSD17B10CYP3A4USP2 | |
| SCHEMBL6878520 | 0.87 | PTPN11 (0.50) | GBA1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL6871810 | 0.87 | PTPN11 (0.50) | CYP1A2ALDH1A1HSD17B10CYP3A4USP2 | |
| SCHEMBL6878214 | 0.86 | GBA1 (0.39) | GBA1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL16671809 | 0.84 | MEN1 (0.52) | BTKCYP1A2ALDH1A1HSD17B10HPGD | |
| Methylpiperazine SCHEMBL6876077 | 0.82 | HTT (0.41) | CYP1A2RENALDH1A1HSD17B10HPGD | |
| Methylpiperazine SCHEMBL6883204 | 0.81 | HTR1A (0.46) | JAK3HTR2CCYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL6883115 | 0.81 | SCN9A (0.47) | CYP1A2ALDH1A1HSD17B10HPGDCYP3A4 | |
| Methylpiperazine SCHEMBL6881276 | 0.81 | HRH4 (0.51) | CYP1A2ALDH1A1HSD17B10HPGDCYP3A4 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1339698-A2 | PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-09-03 | — | — | EP | claimed |
| US-20020099207-A1 | 2,4,5,-trisubstituted pyrimidine derivatives | HOFFMANN-LA ROCHE INC. | 2002-07-25 | — | — | US | claimed |
| WO-2002042280-A2 | PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-05-30 | — | — | WO | claimed |
| US-20060178348-A1 | Compositions and therapeutic methods utilizing a combination of a protein extravasation inhibitor and an NSAID | POZEN INC. (US) | 2006-08-10 | — | — | US | disclosed |
| WO-2006081088-A2 | COMPOSITIONS AND THERAPEUTIC METHODS UTILIZING A COMBINATION OF A PROTEIN EXTRAVASATION INHIBITOR AND AN NSAID | POZEN INC. (US) | 2006-08-03 | — | — | WO | disclosed |
| 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 (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-20060178348-A1 | Compositions and therapeutic methods utilizing a combination of a protein extravasation inhibitor and an NSAID | MMP8, CCL2, VCAM1 | LCK 4340/4885JAK3 3160/4885BTK 4471/4885 |
| US-20020099207-A1 | 2,4,5,-trisubstituted pyrimidine derivatives | TACR1, TACR2, P2RY2 | LCK 706/4885JAK3 958/4885BTK 1333/4885 |
“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.