Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Pentetic Acid. 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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.94 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.94 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.94 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.94 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.94 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.94 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.94 |
| ▸ | BLM | P54132 | 2/20 | 0.94 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.94 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.94 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.94 |
| ▸ | LMNA | P02545 | 1/20 | 0.94 |
| ▸ | TSHR | P16473 | 1/20 | 0.94 |
| ▸ | DRD1 | P21728 | 1/20 | 0.94 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.94 |
| ▸ | DRD3 | P35462 | 1/20 | 0.94 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.94 |
| ▸ | EYA2 | O00167 | 1/20 | 0.88 |
| ▸ | APP | P05067 | 1/20 | 0.88 |
| ▸ | ACE | P12821 | 1/20 | 0.88 |
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 | |
|---|---|---|---|---|
| Edetic Acid SCHEMBL15638589 | 0.97 | TDP1 (0.93) | TDP1BLMPMP22KDM4EALOX15 | |
| SCHEMBL8866720 | 0.97 | TDP1 (1.00) | TDP1BLMPMP22KDM4EALOX15 | |
| Pentetic Acid SCHEMBL10564326 | 0.97 | TDP1 (1.00) | TDP1BLMPMP22KDM4EALOX15 | |
| Pentetic Acid SCHEMBL786105 | 0.97 | TDP1 (1.00) | TDP1BLMPMP22KDM4EALOX15 | |
| SCHEMBL137691 | 0.97 | TDP1 (1.00) | TDP1BLMPMP22KDM4EALOX15 | |
| Pentetic Acid SCHEMBL17138 | 0.97 | TDP1 (1.00) | TDP1BLMPMP22KDM4EALOX15 | |
| Pentetic Acid SCHEMBL2468143 | 0.97 | TDP1 (1.00) | TDP1BLMPMP22KDM4EALOX15 | |
| Edetic Acid SCHEMBL9817604 | 0.94 | TDP1 (0.88) | TDP1BLMPMP22KDM4EALOX15 | |
| Pentetic Acid SCHEMBL598927 | 0.94 | TDP1 (0.94) | TDP1BLMPMP22KDM4EALOX15 | |
| Pentetic Acid SCHEMBL9130818 | 0.94 | TDP1 (0.94) | TDP1BLMPMP22KDM4EALOX15 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9777022-B2 | Process for the preparation of macrocyclic polyazacarboxylate ligands and chelates | GUERBET (FR) | 2017-10-03 | — | — | US | claimed |
| EP-2920156-B9 | PROCESS FOR THE PREPARATION OF MACROCYCLIC POLYAZACARBOXYLATE LIGANDS AND CHELATES | GUERBET SA (FR) | 2017-04-19 | — | — | EP | claimed |
| EP-2920156-B1 | PROCESS FOR THE PREPARATION OF MACROCYCLIC POLYAZACARBOXYLATE LIGANDS AND CHELATES | GUERBET SA (FR) | 2016-12-07 | — | — | EP | claimed |
| US-20160185803-A1 | PROCESS FOR THE PREPARATION OF MACROCYCLIC POLYAZACARBOXYLATE LIGANDS AND CHELATES | MALLINCKRODT LLC | 2016-06-30 | — | — | US | claimed |
| US-9315474-B2 | Process for the preparation of macrocyclic polyazacarboxylate ligands and chelates | LIEBEL-FLARSHEIM COMPANY LLC (US) | 2016-04-19 | — | — | US | claimed |
| EP-2920156-A1 | PROCESS FOR THE PREPARATION OF MACROCYCLIC POLYAZACARBOXYLATE LIGANDS AND CHELATES | Mallinckrodt LLC (US) | 2015-09-23 | — | — | EP | claimed |
| US-20150259304-A1 | PROCESS FOR THE PREPARATION OF MACROCYCLIC POLYAZACARBOXYLATE LIGANDS AND CHELATES | GUERBET (FR) | 2015-09-17 | — | — | US | claimed |
| WO-2014055504-A1 | PROCESS FOR THE PREPARATION OF MACROCYCLIC POLYAZACARBOXYLATE LIGANDS AND CHELATES | MALLINCKRODT LLC (US) | 2014-04-10 | — | — | WO | claimed |
| US-9777022-B2 | Process for the preparation of macrocyclic polyazacarboxylate ligands and chelates | GUERBET (FR) | 2017-10-03 | — | — | US | disclosed |
| EP-2920156-B9 | PROCESS FOR THE PREPARATION OF MACROCYCLIC POLYAZACARBOXYLATE LIGANDS AND CHELATES | GUERBET SA (FR) | 2017-04-19 | — | — | EP | disclosed |
| EP-2920156-B1 | PROCESS FOR THE PREPARATION OF MACROCYCLIC POLYAZACARBOXYLATE LIGANDS AND CHELATES | GUERBET SA (FR) | 2016-12-07 | — | — | EP | disclosed |
| US-20160185803-A1 | PROCESS FOR THE PREPARATION OF MACROCYCLIC POLYAZACARBOXYLATE LIGANDS AND CHELATES | MALLINCKRODT LLC | 2016-06-30 | — | — | US | disclosed |
| US-9315474-B2 | Process for the preparation of macrocyclic polyazacarboxylate ligands and chelates | LIEBEL-FLARSHEIM COMPANY LLC (US) | 2016-04-19 | — | — | US | disclosed |
| EP-2920156-A1 | PROCESS FOR THE PREPARATION OF MACROCYCLIC POLYAZACARBOXYLATE LIGANDS AND CHELATES | Mallinckrodt LLC (US) | 2015-09-23 | — | — | EP | disclosed |
| US-20150259304-A1 | PROCESS FOR THE PREPARATION OF MACROCYCLIC POLYAZACARBOXYLATE LIGANDS AND CHELATES | GUERBET (FR) | 2015-09-17 | — | — | US | disclosed |
| WO-2014055504-A1 | PROCESS FOR THE PREPARATION OF MACROCYCLIC POLYAZACARBOXYLATE LIGANDS AND CHELATES | MALLINCKRODT LLC (US) | 2014-04-10 | — | — | 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-20160185803-A1 | PROCESS FOR THE PREPARATION OF MACROCYCLIC POLYAZACARBOXYLATE LIGANDS AND CHELATES | SSTR4, SSTR5, MVD | CHRM2 4056/4885ADRA2A 4269/4885SLC6A2 3651/4885 |
| US-20150259304-A1 | PROCESS FOR THE PREPARATION OF MACROCYCLIC POLYAZACARBOXYLATE LIGANDS AND CHELATES | SSTR4, SSTR5, MVD | CHRM2 4056/4885ADRA2A 4269/4885SLC6A2 3651/4885 |
“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.