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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADA known ✓ | P00813 | 3/20 | 0.63 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.63 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.63 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.63 |
| ▸ | AMPD3 | Q01432 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | AMPD2 | Q01433 | 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 | |
|---|---|---|---|---|
| Pentostatin SCHEMBL2045053 | 0.79 | ADA (1.00) | ADAADORA3ADORA2AADORA1AMPD3 | |
| Pentostatin SCHEMBL14031902 | 0.79 | ADA (1.00) | ADAADORA3ADORA2AADORA1AMPD3 | |
| Pentostatin SCHEMBL1649740 | 0.79 | ADA (1.00) | ADAADORA3ADORA2AADORA1AMPD3 | |
| Pentostatin SCHEMBL2818 | 0.79 | ADA (1.00) | ADAADORA3ADORA2AADORA1AMPD3 | |
| Pentostatin SCHEMBL28886873 | 0.77 | ADA (0.90) | ADAADORA3ADORA2AADORA1AMPD3 | |
| Pentostatin SCHEMBL28078896 | 0.71 | ADA (0.77) | ADAADORA3ADORA2AADORA1AMPD3 | |
| Promethazine SCHEMBL28095270 | 0.70 | ADA (0.65) | ADAADORA3ADORA2AADORA1AMPD3 | |
| Pentostatin SCHEMBL28265748 | 0.68 | ADA (0.64) | ADAADORA3ADORA2AADORA1AMPD3 | |
| Procarbazine SCHEMBL2304032 | 0.64 | ALDH1A1 (0.97) | ALDH1A1LMNACYP1A2ALOX15CYP2C19 | |
| Procarbazine SCHEMBL29196982 | 0.64 | ALDH1A1 (0.97) | ALDH1A1LMNACYP1A2ALOX15CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108700590-A | Cell population analysis | 英国质谱公司 | 2018-10-23 | — | — | CN | disclosed |
| CN-107667288-A | Spectral analysis of microorganisms | 英国质谱公司 | 2018-02-06 | — | — | CN | disclosed |