Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.41 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.37 |
| ▸ | ESR1 | P03372 | 5/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 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 | |
|---|---|---|---|---|
| SCHEMBL5544467 | 0.98 | SPHK1 (0.40) | SPHK1PTGES2HDAC1HDAC8HDAC6 | |
| SCHEMBL7652663 | 0.88 | SPHK1 (0.46) | SPHK1PTGES2CYP3A4CYP2D6FFAR4 | |
| SCHEMBL7650177 | 0.86 | SPHK1 (0.45) | SPHK1HTR2CHTR2BFFAR4 | |
| SCHEMBL7654715 | 0.86 | SPHK1 (0.49) | SPHK1CYP3A4CYP2D6FFAR4 | |
| SCHEMBL7651816 | 0.85 | SPHK1 (0.47) | SPHK1CYP3A4CYP2D6FFAR4 | |
| SCHEMBL7650285 | 0.85 | SPHK1 (0.51) | SPHK1CYP3A4CYP2D6FFAR4 | |
| SCHEMBL7647363 | 0.83 | SPHK1 (0.50) | SPHK1FFAR4 | |
| SCHEMBL676292 | 0.83 | HDAC8 (0.41) | HDAC1HDAC8HDAC6HTR2CHTR2B | |
| SCHEMBL676977 | 0.81 | HAO1 (0.42) | HDAC1HDAC8HDAC6HTR2CHTR2B | |
| SCHEMBL330369 | 0.81 | HAO1 (0.42) | HDAC1HDAC8HDAC6HTR2CHTR2B |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104205472-B | Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same | 三菱化学株式会社 | 2017-04-12 | — | — | CN | disclosed |
| CN-104205472-A | Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same | MITSUBISHI CHEM CORP | 2014-12-10 | — | — | CN | disclosed |
| EP-1565430-B1 | BIGUANIDE DERIVATIVES | JACOBUS PHARMA CO INC (US) | 2010-02-17 | — | — | EP | disclosed |
| US-7563792-B2 | Biguanide and dihydrotriazine derivatives | JACOBUS PHARMACEUTICAL COMPANY, INC. (US) | 2009-07-21 | — | — | US | disclosed |
| US-20080176852-A1 | BIGUANIDE AND DIHYDROTRIAZINE DERIVATIVES | JACOBUS PHARMACEUTICAL COMPANY, INC. | 2008-07-24 | — | — | US | disclosed |
| US-7256218-B2 | Biguanide and dihydrotriazine derivatives | JACOBUS PHARMACEUTICAL COMPANY, INC. (US) | 2007-08-14 | — | — | US | disclosed |
| EP-1565430-A1 | BIGUANIDE AND DIHYDROTRIAZINE DERIVATIVES | JACOBUS PHARMACEUTICAL CO. INC. (US) | 2005-08-24 | — | — | EP | disclosed |
| US-20040116428-A1 | Biguanide and dihydrotriazine derivatives | JACOBUS PHARMACEUTICAL COMPANY, INC. | 2004-06-17 | — | — | US | disclosed |
| WO-2004048320-A1 | BIGUANIDE AND DIHYDROTRIAZINE DERIVATIVES | JACOBUS PHARMACEUTICAL COMPANY, INC. (US) | 2004-06-10 | — | — | WO | disclosed |
| CN-1149214-C | Triazolo gerivatives and chemokine inhibitors containing the same as the active ingredient | ������������ʽ���� | 2004-05-12 | — | — | CN | disclosed |
| US-6492364-B1 | Triazolo and derivatives as chemokine inhibitors | TORAY INDUSTRIES, INC. (JP) | 2002-12-10 | — | — | US | disclosed |
| CN-1293674-A | Triazolo gerivatives and chemokine inhibitors containing the same as the active ingredient | TORAY INDUSTRIES (JP) | 2001-05-02 | — | — | CN | disclosed |
| EP-1067130-A1 | TRIAZOLO DERIVATIVES AND CHEMOKINE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | TORAY INDUSTRIES, INC. (JP) | 2001-01-10 | — | — | EP | 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-20080176852-A1 | BIGUANIDE AND DIHYDROTRIAZINE DERIVATIVES | QDPR, DHODH, GLMN | SPHK1 1162/4885PTGES2 2056/4885HDAC1 2577/4885 |
“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.