Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Pala. 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 | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | PNP | P00491 | 1/20 | 0.37 |
| ▸ | FPR2 | P25090 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 8/20 | 0.35 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.35 |
| ▸ | FOLR1 | P15328 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | GART | P22102 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
| ▸ | TYMS | P04818 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Thioguanine SCHEMBL17515061 | 0.76 | PNP (0.57) | PNPCDK2SMN1; SMN2ALDH1A1HPGD | |
| Thioguanine SCHEMBL6467557 | 0.76 | PNP (0.57) | PNPCDK2SMN1; SMN2ALDH1A1HPGD | |
| Thioguanine SCHEMBL5977650 | 0.76 | PNP (0.57) | PNPCDK2SMN1; SMN2ALDH1A1HPGD | |
| Thioguanine SCHEMBL28286407 | 0.75 | PNP (0.55) | PNPCDK2SMN1; SMN2ALDH1A1HPGD | |
| Thioguanine SCHEMBL28527269 | 0.74 | PNP (0.54) | PNPCDK2SMN1; SMN2ALDH1A1HPGD | |
| Thioguanine SCHEMBL28184589 | 0.73 | PNP (0.53) | PNPCDK2SMN1; SMN2ALDH1A1HPGD | |
| Thioguanine SCHEMBL5977636 | 0.72 | PNP (0.51) | PNPCDK2SMN1; SMN2ALDH1A1HPGD | |
| Thioguanine SCHEMBL17979618 | 0.71 | PNP (0.46) | PNPCDK2SMN1; SMN2ALDH1A1HPGD | |
| Thioguanine SCHEMBL17979617 | 0.71 | PNP (0.46) | PNPCDK2SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL31239225 | 0.71 | KDR (0.41) | CA2CA4FPR2CDK2SMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050208512-A1 | Determining the chemosensitivity of cells to cytotoxic agents | THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2005-09-22 | — | — | US | disclosed |