Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL12900679 | 0.78 | ALDH1A1 (0.40) | ALDH1A1CYP1A2CYP3A4CYP2C19HPGD | |
| SCHEMBL5728530 | 0.78 | ALDH1A1 (0.40) | ALDH1A1CYP3A4TAAR1GAANPC1 | |
| SCHEMBL1589717 | 0.76 | ALDH1A1 (0.39) | ALDH1A1CYP3A4NPC1LMNAMAPT | |
| SCHEMBL156676 | 0.76 | TAAR1 (0.55) | ALDH1A1CYP1A2TAAR1GAANPC1 | |
| SCHEMBL7044311 | 0.76 | HPGD (0.39) | ALDH1A1SLC6A4CYP1A2GAANPC1 | |
| SCHEMBL837958 | 0.76 | SLC6A4 (0.47) | ALDH1A1SLC6A4HTR2AKCNH2GAA | |
| SCHEMBL14098008 | 0.76 | DPP4 (0.42) | ALDH1A1SLC6A4HTR2ACYP1A2CYP3A4 | |
| SCHEMBL4524516 | 0.74 | ALDH1A1 (0.46) | ALDH1A1SLC6A4HTR2ACYP3A4KCNH2 | |
| SCHEMBL8415344 | 0.74 | ALDH1A1 (0.46) | ALDH1A1SLC6A4HTR2ACYP3A4KCNH2 | |
| SCHEMBL585521 | 0.73 | KDM4E (0.38) | ALDH1A1MAPTPKMKMT2ATDP1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2757093-B1 | GUANIDINOBENZOIC ACID COMPOUND | ASTELLAS PHARMA INC (JP) | 2016-12-07 | — | — | EP | disclosed |
| US-9199927-B2 | Guanidinobenzoic acid compound | ASTELLAS PHARMA INC. (JP) | 2015-12-01 | — | — | US | disclosed |
| US-9199927-B2 | Guanidinobenzoic acid compound | ASTELLAS PHARMA INC. (JP) | 2015-12-01 | — | — | US | disclosed |
| US-20140378459-A1 | GUANIDINOBENZOIC ACID COMPOUND | ASTELLAS PHARMA INC. (JP) | 2014-12-25 | — | — | US | disclosed |
| US-20140378459-A1 | GUANIDINOBENZOIC ACID COMPOUND | ASTELLAS PHARMA INC. (JP) | 2014-12-25 | — | — | US | disclosed |
| EP-2757093-A1 | GUANIDINOBENZOIC ACID COMPOUND | Astellas Pharma Inc. (JP) | 2014-07-23 | — | — | EP | disclosed |
| US-20030069246-A1 | Certain alkylene diamine-substituted pyrazolo[1,5,-a]-1,5-pyrimidines and pyrazolo [1,5-a]-1,3,5-triazines | NEUROGEN CORPORATION (US) | 2003-04-10 | — | — | US | disclosed |
| EP-1218379-A2 | CERTAIN ALKYLENE DIAMINE-SUBSTITUTED PYRAZOLO 1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO 1,5-a]-1,3,5-TRIAZINES | NEUROGEN CORPORATION (US) | 2002-07-03 | — | — | EP | disclosed |
| US-6372743-B1 | EATING DISORDERS, HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS | NEUROGEN CORPORATION | 2002-04-16 | — | — | US | disclosed |
| WO-2001023387-A2 | CERTAIN ALKYLENE DIAMINE-SUBSTITUTED PYRAZOLO[1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO[1,5-a]-1,3,5-TRIAZINES | NEUROGEN CORPORATION (US) | 2001-04-05 | — | — | 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-20140378459-A1 | GUANIDINOBENZOIC ACID COMPOUND | SERPINB1, REN, SPINT2 | ALDH1A1 2023/4885SLC6A4 3042/4885HTR2A 1950/4885 |
| US-20030069246-A1 | Certain alkylene diamine-substituted pyrazolo[1,5,-a]-1,5-pyrimidines and pyrazolo [1,5-a]-1,3,5-triazines | NPY1R, NPY5R, NPY2R | ALDH1A1 2283/4885SLC6A4 488/4885HTR2A 63/4885 |
“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.