Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.66 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.66 |
| ▸ | NPC1 | O15118 | 4/20 | 0.64 |
| ▸ | RAB9A | P51151 | 3/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | GLA | P06280 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Phenethyl Benzoate SCHEMBL168823 | 0.89 | ESR1 (0.80) | ESR1ESR2NPC1RAB9ATDP1 | |
| Phenethyl Benzoate SCHEMBL4351681 | 0.89 | ESR1 (0.80) | ESR1ESR2NPC1RAB9ATDP1 | |
| SCHEMBL17552330 | 0.86 | ESR1 (0.66) | ESR1ESR2NPC1RAB9ATDP1 | |
| Phenethyl Benzoate SCHEMBL8013380 | 0.86 | ESR1 (0.71) | ESR1ESR2NPC1RAB9ATDP1 | |
| SCHEMBL4459400 | 0.85 | ESR1 (0.86) | ESR1ESR2NPC1RAB9ATDP1 | |
| SCHEMBL17061455 | 0.85 | ESR1 (0.64) | ESR1ESR2NPC1RAB9ATDP1 | |
| SCHEMBL17061429 | 0.85 | ESR1 (0.64) | ESR1ESR2NPC1RAB9ATDP1 | |
| SCHEMBL16673148 | 0.85 | ESR1 (0.64) | ESR1ESR2NPC1RAB9ATDP1 | |
| SCHEMBL17951280 | 0.83 | ESR1 (0.62) | ESR1ESR2NPC1RAB9ATDP1 | |
| SCHEMBL8804821 | 0.83 | ESR1 (0.67) | ESR1ESR2NPC1RAB9ATDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7271153-B2 | Treating diseases associated with hyperglycemia such as diabetes; SGLT2 (sodium/glucose cotransporter 2) inhibitor; 3-(4-Ethylbenzyl)-2-(beta-D-glucopyranosyloxy)-4,6-dimethyl-pyridine for example | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2007-09-18 | — | — | US | disclosed |
| US-20050049203-A1 | Nitrogenous heterocyclic derivative, medicinal composition containing the same, medical use thereof, and intermediate therefor | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2005-03-03 | — | — | US | disclosed |
| EP-1405859-A1 | NITROGENOUS HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF AND INTERMEDIATE THEREFOR | Kissei Pharmaceutical Co., Ltd. (JP) | 2004-04-07 | — | — | 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-20050049203-A1 | Nitrogenous heterocyclic derivative, medicinal composition containing the same, medical use thereof, and intermediate therefor | GPR119, NPR3, SLC5A2 | ESR1 2658/4885ESR2 2190/4885NPC1 259/4885 |
“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.