Alprostadil

Alprostadil

SCHEMBL13649331

CCCCCC(O)/C=C/[C@H]1C(O)CC(=O)C1CCCCCCC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PTGER1PTGER2

The experimentally established mechanism targets of Alprostadil. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER2 known ✓ P43116 4/20 1.00
▸ PTGER1 known ✓ P34995 1/20 0.73
▸ PTGIR P43119 9/20 1.00
▸ TSHR P16473 3/20 1.00
▸ PTGER4 P35408 3/20 1.00
▸ NR4A2 P43354 3/20 1.00
▸ HPGD P15428 2/20 1.00
▸ MAPK1 P28482 2/20 1.00
▸ MEN1 O00255 1/20 1.00
▸ CYP3A4 P08684 1/20 1.00
▸ KMT2A Q03164 1/20 1.00
▸ ABCC3 O15438 1/20 1.00
▸ ABCC4 O15439 1/20 1.00
▸ RARB P10826 1/20 1.00
▸ RARG P13631 1/20 1.00
▸ DRD1 P21728 1/20 1.00
▸ LMNA P02545 1/20 1.00
▸ CYP2C19 P33261 1/20 1.00
▸ HIF1A Q16665 1/20 1.00
▸ NR1I2 O75469 1/20 0.73

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.

Compoundsimilaritytop predictedshared targets
Alprostadil SCHEMBL5436690 1.00 PTGIR (1.00) PTGIRPTGER2TSHRPTGER4NR4A2
Alprostadil SCHEMBL13399727 1.00 PTGIR (1.00) PTGIRPTGER2TSHRPTGER4NR4A2
SCHEMBL11854110 1.00 PTGIR (1.00) PTGIRPTGER2TSHRPTGER4NR4A2
Alprostadil SCHEMBL13199386 1.00 PTGIR (1.00) PTGIRPTGER2TSHRPTGER4NR4A2
SCHEMBL23353047 1.00 PTGIR (1.00) PTGIRPTGER2TSHRPTGER4NR4A2
Alprostadil SCHEMBL23353103 1.00 PTGIR (1.00) PTGIRPTGER2TSHRPTGER4NR4A2
Alprostadil SCHEMBL23352620 1.00 PTGIR (1.00) PTGIRPTGER2TSHRPTGER4NR4A2
SCHEMBL23352905 1.00 PTGIR (1.00) PTGIRPTGER2TSHRPTGER4NR4A2
Alprostadil SCHEMBL22425786 1.00 PTGIR (1.00) PTGIRPTGER2TSHRPTGER4NR4A2
Alprostadil SCHEMBL10198573 1.00 PTGIR (1.00) PTGIRPTGER2TSHRPTGER4NR4A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020182077-A1 USE OF GLI2 INHIBITOR AND METHOD FOR SCREENING COMPOUND INHIBITING GLI2 中国科学院动物研究所 2020-09-17 — — WO disclosed
US-20140296191-A1 COMPOSITIONS OF PHARMACEUTICAL ACTIVES CONTAINING DIETHYLENE GLYCOL MONOETHYL ETHER OR OTHER ALKYL DERIVATIVES THEMIS MEDICARE LIMITED (IN) 2014-10-02 — — US disclosed
US-20140296191-A1 COMPOSITIONS OF PHARMACEUTICAL ACTIVES CONTAINING DIETHYLENE GLYCOL MONOETHYL ETHER OR OTHER ALKYL DERIVATIVES THEMIS MEDICARE LIMITED (IN) 2014-10-02 — — US disclosed
US-20090252685-A1 HIGH PENETRATION PRODRUG COMPOSITIONS OF PROSTAGLANDINS AND RELATED COMPOUNDS PREMIER RESEARCH INTERNATIONAL, LLC 2009-10-08 — — US disclosed
US-20090252685-A1 HIGH PENETRATION PRODRUG COMPOSITIONS OF PROSTAGLANDINS AND RELATED COMPOUNDS PREMIER RESEARCH INTERNATIONAL, LLC 2009-10-08 — — US 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140296191-A1 COMPOSITIONS OF PHARMACEUTICAL ACTIVES CONTAINING DIETHYLENE GLYCOL MONOETHYL ETHER OR OTHER ALKYL DERIVATIVES DSG1, DEGS1, PLA2G2E PTGER2 69/4885PTGER1 20/4885PTGIR 399/4885
US-20090252685-A1 HIGH PENETRATION PRODRUG COMPOSITIONS OF PROSTAGLANDINS AND RELATED COMPOUNDS PTGER1, HPGDS, PTGER2 PTGER2 3/4885PTGER1 1/4885PTGIR 6/4885

“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.

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