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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADA known ✓ | P00813 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | TK1 | P04183 | 3/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.39 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.39 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.39 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.39 |
| ▸ | TK2 | O00142 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 SCHEMBL724965 | 0.87 | LMNA (0.66) | LMNASMN1; SMN2ADAADORA3ADORA2A | |
| Pentostatin SCHEMBL14190839 | 0.86 | ADA (0.57) | LMNASMN1; SMN2ADAADORA3ADORA2A | |
| Pentostatin SCHEMBL21133143 | 0.86 | ADA (0.57) | LMNASMN1; SMN2ADAADORA3ADORA2A | |
| Pentostatin SCHEMBL18402543 | 0.86 | ADA (0.57) | LMNASMN1; SMN2ADAADORA3ADORA2A | |
| Pentostatin SCHEMBL7790216 | 0.86 | ADA (0.57) | LMNASMN1; SMN2ADAADORA3ADORA2A | |
| Pentostatin SCHEMBL2819465 | 0.86 | ADA (0.57) | LMNASMN1; SMN2ADAADORA3ADORA2A | |
| Pentostatin SCHEMBL14105501 | 0.86 | ADA (0.57) | LMNASMN1; SMN2ADAADORA3ADORA2A | |
| Pentostatin SCHEMBL7715689 | 0.86 | ADA (0.57) | LMNASMN1; SMN2ADAADORA3ADORA2A | |
| Pentostatin SCHEMBL2353499 | 0.86 | ADA (0.57) | LMNASMN1; SMN2ADAADORA3ADORA2A | |
| Pentostatin SCHEMBL14514128 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1761515-A1 | 2-(HETERO-)ARYL SUBSTITUTED TETRAHYDROQUINOLINE DERIVATIVES | MERCK PATENT GmbH (DE) | 2007-03-14 | — | — | EP | disclosed |
| EP-1747214-A2 | DIHYDROBENZOTHIOPHENES | MERCK PATENT GmbH (DE) | 2007-01-31 | — | — | EP | disclosed |
| WO-2005108355-A2 | DIHYDROBENZOTHIOPHENES | MERCK PATENT GMBH (DE) | 2005-11-17 | — | — | WO | disclosed |
| WO-2005063735-A1 | 2-(HETERO)-ARYL-SUBSTITUTED TETRAHYDROQUINOLINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2005-07-14 | — | — | WO | disclosed |