Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Pentostatin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADA known ✓ | P00813 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.66 |
| ▸ | TK1 | P04183 | 3/20 | 0.51 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.51 |
| ▸ | TK2 | O00142 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Pentostatin SCHEMBL2316574 | 0.90 | TK1 (0.66) | LMNASMN1; SMN2TK1ALOX12ADRA1A | |
| Pentostatin SCHEMBL5159567 | 0.87 | LMNA (0.48) | LMNASMN1; SMN2TK1ALOX12ADRA1A | |
| Pentostatin SCHEMBL14190839 | 0.86 | ADA (0.57) | LMNASMN1; SMN2ADAADORA3ADORA2A | |
| Pentostatin SCHEMBL21133143 | 0.86 | ADA (0.57) | LMNASMN1; SMN2ADAADORA3ADORA2A | |
| Pentostatin SCHEMBL2353499 | 0.86 | ADA (0.57) | LMNASMN1; SMN2ADAADORA3ADORA2A | |
| Pentostatin SCHEMBL2819465 | 0.86 | ADA (0.57) | LMNASMN1; SMN2ADAADORA3ADORA2A | |
| Pentostatin SCHEMBL7715689 | 0.86 | ADA (0.57) | LMNASMN1; SMN2ADAADORA3ADORA2A | |
| Pentostatin SCHEMBL14105501 | 0.86 | ADA (0.57) | LMNASMN1; SMN2ADAADORA3ADORA2A | |
| Pentostatin SCHEMBL7790216 | 0.86 | ADA (0.57) | LMNASMN1; SMN2ADAADORA3ADORA2A | |
| Pentostatin SCHEMBL18402543 | 0.86 | ADA (0.57) | LMNASMN1; SMN2ADAADORA3ADORA2A |
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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3672951-A1 | QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | Merck Patent GmbH (DE) | 2020-07-01 | — | — | EP | disclosed |
| EP-3672952-A1 | BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | Merck Patent GmbH (DE) | 2020-07-01 | — | — | EP | disclosed |
| EP-3668516-A1 | STABLE LYOPHILISATES COMPRISING 5,10-METHYLENE-(6R)-TETRAHYDROFOLIC ACID AND A DICARBOXYLIC ACID | Merck Patent GmbH (DE) | 2020-06-24 | — | — | EP | disclosed |
| EP-3661941-A1 | THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | Merck Patent GmbH (DE) | 2020-06-10 | — | — | EP | disclosed |
| EP-3638320-A2 | IGF-1R MONOCLONAL ANTIBODIES AND USES THEREOF | Fusion Pharmaceuticals Inc. (CA) | 2020-04-22 | — | — | EP | disclosed |
| EP-3619191-A1 | PHARMACOKINETIC ENHANCEMENTS OF BIFUNCTIONAL CHELATES AND USES THEREOF | Fusion Pharmaceuticals Inc. (CA) | 2020-03-11 | — | — | EP | disclosed |
| WO-2019038215-A1 | BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2019-02-28 | — | — | WO | disclosed |
| WO-2019038214-A1 | QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2019-02-28 | — | — | WO | disclosed |
| WO-2019034673-A1 | STABLE LYOPHILISATES COMPRISING 5,10-METHYLENE-(6R)-TETRAHYDROFOLIC ACID AND A DICARBOXYLIC ACID | MERCK PATENT GMBH (DE) | 2019-02-21 | — | — | WO | disclosed |
| WO-2019025099-A1 | THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2019-02-07 | — | — | WO | disclosed |
| WO-2011147528-A1 | BIGUANIDE COMPOUNDS AND ITS USE FOR TREATING CANCER | MERCK PATENT GMBH (DE) | 2011-12-01 | — | — | WO | disclosed |
| EP-2367822-A1 | TRICYCLIC AZAINDOLES | Merck Patent GmbH (DE) | 2011-09-28 | — | — | EP | disclosed |
| EP-2367821-A1 | C-RING MODIFIED TRICYCLIC BENZONAPHTHIRIDINONE PROTEIN KINASE INHIBITORS AND USE THEREOF | Merck Patent GmbH (DE) | 2011-09-28 | — | — | EP | disclosed |
| WO-2010080253-A1 | TRICYCLIC AZAINDOLES | MERCK PATENT GMBH (DE) | 2010-07-15 | — | — | WO | disclosed |
| WO-2010077530-A1 | C-RING MODIFIED TRICYCLIC BENZONAPHTHIRIDINONE PROTEIN KINASE INHIBITORS AND USE THEREOF | MERCK PATENT GMBH (DE) | 2010-07-08 | — | — | WO | disclosed |
| EP-1968607-A1 | TREATMENT OF CANCER AND OTHER DISEASES | Nabil Habib Lab (LB) | 2008-09-17 | — | — | EP | disclosed |
| EP-1874321-A2 | COMPOSITIONS FOR THE TREATMENT OF NEOPLASMS | CombinatoRx, Incorporated (US) | 2008-01-09 | — | — | EP | disclosed |
| WO-2007064691-A1 | TREATMENT OF CANCER AND OTHER DISEASES | NABIL HABIB LAB (LB) | 2007-06-07 | — | — | WO | disclosed |
| WO-2006113718-A2 | COMPOSITIONS FOR THE TREATMENT OF NEOPLASMS | COMBINATORX, INCORPORATED (US) | 2006-10-26 | — | — | WO | disclosed |
| WO-2004073631-A2 | COMBINATION THERAPY FOR THE TREATMENT OF NEOPLASMS | COMBINATORX, INCORPORATED (US) | 2004-09-02 | — | — | WO | disclosed |