Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Alosetron. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A known ✓ | P46098 | 2/20 | 0.65 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.65 |
| ▸ | HTR2B | P41595 | 2/20 | 0.65 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.65 |
| ▸ | HTR2A | P28223 | 1/20 | 0.65 |
| ▸ | HTR2C | P28335 | 1/20 | 0.65 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.65 |
| ▸ | CASP6 | P55212 | 1/20 | 0.64 |
| ▸ | HTR7 | P34969 | 7/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.36 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.36 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.36 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.36 |
| ▸ | HTR3B | O95264 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 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 | |
|---|---|---|---|---|
| Alosetron SCHEMBL148316 | 0.92 | HTR2A (0.74) | KCNH2CYP3A4CYP1A2HTR2BHTR3A | |
| Alosetron SCHEMBL311317 | 0.92 | CASP6 (0.74) | KCNH2CYP3A4CYP1A2HTR2BHTR3A | |
| Alosetron SCHEMBL7371660 | 0.92 | CASP6 (0.74) | KCNH2CYP3A4CYP1A2HTR2BHTR3A | |
| Fumaric Acid SCHEMBL1010 | 0.88 | KCNH2 (0.68) | KCNH2CYP3A4CYP1A2HTR2BHTR3A | |
| Maleic Acid SCHEMBL1009 | 0.88 | KCNH2 (0.68) | KCNH2CYP3A4CYP1A2HTR2BHTR3A | |
| Alosetron SCHEMBL1046 | 0.87 | KCNH2 (0.85) | KCNH2CYP3A4CYP1A2HTR2BHTR3A | |
| Alosetron SCHEMBL1045 | 0.87 | KCNH2 (0.85) | KCNH2CYP3A4CYP1A2HTR2BHTR3A | |
| Fumaric Acid SCHEMBL1053 | 0.82 | KCNH2 (0.76) | KCNH2CYP3A4CYP1A2HTR2BHTR3A | |
| Maleic Acid SCHEMBL1052 | 0.82 | KCNH2 (0.76) | KCNH2CYP3A4CYP1A2HTR2BHTR3A | |
| SCHEMBL20027463 | 0.81 | KCNH2 (0.57) | KCNH2CYP3A4CYP1A2HTR2BHTR3A |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230065814-A1 | CONJUGATES OF-ELECTRON-PAIR-DONATING HETEROAROMATIC NITROGEN-COMPRISING COMPOUNDS | ASCENDIS PHARMA A/S (DK) | 2023-03-02 | — | — | US | disclosed |
| EP-3986472-A1 | CONJUGATES OF HETEROAROMATIC NITROGEN-COMPRISING COMPOUNDS | Ascendis Pharma A/S (DK) | 2022-04-27 | — | — | EP | disclosed |
| EP-3986477-A1 | CONJUGATES OF pi-ELECTRON-PAIR-DONATING HETEROAROMATIC NITROGEN-COMPRISING COMPOUNDS | Ascendis Pharma A/S (DK) | 2022-04-27 | — | — | EP | disclosed |
| WO-2020254603-A1 | CONJUGATES OF π-ELECTRON-PAIR-DONATING HETEROAROMATIC NITROGEN-COMPRISING COMPOUNDS | ASCENDIS PHARMA A/S (DK) | 2020-12-24 | — | — | WO | disclosed |
| WO-2020254606-A1 | CONJUGATES OF HETEROAROMATIC NITROGEN-COMPRISING COMPOUNDS | ASCENDIS PHARMA A/S (DK) | 2020-12-24 | — | — | WO | disclosed |
| US-9533056-B2 | Dipeptide-based prodrug linkers for aliphatic amine-containing drugs | ASCENDIS PHARMA AS (DK) | 2017-01-03 | — | — | US | disclosed |
| EP-2525830-B1 | DIPEPTIDE-BASED PRODRUG LINKERS FOR ALIPHATIC AMINE-CONTAINING DRUGS | ASCENDIS PHARMA AS (DK) | 2016-05-11 | — | — | EP | disclosed |
| US-20150202317-A1 | DIPEPTIDE-BASED PRODRUG LINKERS FOR ALIPHATIC AMINE-CONTAINING DRUGS | ASCENDIS PHARMA AS (DK) | 2015-07-23 | — | — | US | disclosed |
| US-9062094-B2 | Dipeptide-based prodrug linkers for aliphatic amine-containing drugs | ASCENDIS PHARMA AS (DK) | 2015-06-23 | — | — | US | disclosed |
| US-20130053301-A1 | DIPEPTIDE-BASED PRODRUG LINKERS FOR ALIPHATIC AMINE-CONTAINING DRUGS | ASCENDIS PHARMA A/S (DK) | 2013-02-28 | — | — | US | disclosed |
| WO-2011089216-A1 | DIPEPTIDE-BASED PRODRUG LINKERS FOR ALIPHATIC AMINE-CONTAINING DRUGS | ASCENDIS PHARMA AS (DK) | 2011-07-28 | — | — | 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 (3 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-20150202317-A1 | DIPEPTIDE-BASED PRODRUG LINKERS FOR ALIPHATIC AMINE-CONTAINING DRUGS | DNPEP, PEPD, DAO | HTR3A 2680/4885KCNH2 3022/4885CYP3A4 1844/4885 |
| US-20130053301-A1 | DIPEPTIDE-BASED PRODRUG LINKERS FOR ALIPHATIC AMINE-CONTAINING DRUGS | DNPEP, PEPD, DAO | HTR3A 2680/4885KCNH2 3022/4885CYP3A4 1844/4885 |
| US-20230065814-A1 | CONJUGATES OF-ELECTRON-PAIR-DONATING HETEROAROMATIC NITROGEN-COMPRISING COMPOUNDS | NQO1, NCL, ABCB1 | HTR3A 677/4885KCNH2 2516/4885CYP3A4 30/4885 |
“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.