Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | HBB | P68871 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 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 | 0.79 | ALDH1A1 (0.40) | ALDH1A1CYP3A4HPGDHSD17B10L3MBTL1 | |
| SCHEMBL1022724 | 0.78 | ATM (0.38) | ALDH1A1HPGDTSHRHSD17B10GAA | |
| SCHEMBL156676 | 0.78 | TAAR1 (0.55) | ALDH1A1HPGDTAAR1GAAPOLB | |
| SCHEMBL7039367 | 0.78 | ALDH1A1 (0.39) | ALDH1A1CYP3A4HPGDL3MBTL1TAAR1 | |
| SCHEMBL1237862 | 0.75 | TSHR (0.41) | ALDH1A1HPGDTSHRHBBHSD17B10 | |
| SCHEMBL7982969 | 0.74 | CSNK2A1 (0.37) | GAAATM | |
| SCHEMBL1046247 | 0.74 | ALDH1A1 (0.50) | ALDH1A1TSHRTDP1PKMMAPK1 | |
| SCHEMBL954302 | 0.74 | HTT (0.32) | GAAATM | |
| SCHEMBL11860918 | 0.74 | CYP3A4 (0.41) | ALDH1A1CYP3A4GAATDP1MEN1 | |
| SCHEMBL9203057 | 0.74 | ALDH1A1 (0.43) | ALDH1A1HPGDTSHRTAAR1GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-20210355110-A1 | THYROID HORMONE RECEPTOR AGONISTS | InventisBio Co., Ltd. (CN) | 2021-11-18 | — | — | US | disclosed |
| EP-1218381-B1 | AMINO SUBSTITUTED PYRAZOLO¬1,5-a|-1,5-PYRIMIDINES AND PYRAZOLO¬1,5-a|-1,3,5-TRIAZINES | NEUROGEN CORP (US) | 2006-12-06 | — | — | 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 |
| US-6476038-B1 | Amino substituted pyrazolo[1,5,-a]-1,5-pyrimidines and pyrazolo[1,5-a]-1,3,5-triazines | NEUROGEN CORPORATION | 2002-11-05 | — | — | 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 |
| EP-1218381-A2 | AMINO 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-2001023388-A2 | AMINO 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 |
| 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-20210355110-A1 | THYROID HORMONE RECEPTOR AGONISTS | TSHR, THRA, TRHR | ALDH1A1 1881/4885CYP3A4 787/4885HPGD 2228/4885 |
| 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 2283/4885CYP3A4 3362/4885HPGD 1660/4885 |
“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.