Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.37 |
| ▸ | GRM8 | O00222 | 1/20 | 0.37 |
| ▸ | GRM6 | O15303 | 1/20 | 0.37 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL20703549 | 0.90 | TDP1 (0.42) | ALDH1A1ATMTDP1AKR1C3AKR1C2 | |
| SCHEMBL2937777 | 0.87 | ATM (0.53) | ALDH1A1ATMTDP1AKR1C3AKR1C2 | |
| SCHEMBL2937770 | 0.87 | ATM (0.53) | ALDH1A1ATMTDP1AKR1C3AKR1C2 | |
| SCHEMBL28526142 | 0.87 | ALDH1A1 (0.47) | ALDH1A1ATMTDP1PKMSMN1; SMN2 | |
| SCHEMBL30192959 | 0.83 | ATM (0.46) | ALDH1A1ATMTDP1AKR1C3AKR1C2 | |
| SCHEMBL4856872 | 0.83 | ATM (0.46) | ALDH1A1ATMTDP1AKR1C3AKR1C2 | |
| SCHEMBL2298369 | 0.82 | TDP1 (0.45) | ALDH1A1ATMTDP1PKMSMN1; SMN2 | |
| SCHEMBL18936896 | 0.82 | ALDH1A1 (0.47) | ALDH1A1ATMTDP1AKR1C3AKR1C2 | |
| SCHEMBL25447155 | 0.79 | ATM (0.42) | ALDH1A1ATMTDP1AKR1C3AKR1C2 | |
| SCHEMBL5948033 | 0.79 | AKR1C3 (0.59) | ATMTDP1AKR1C3AKR1C2MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010106016-A1 | PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS | GLAXO GROUP LIMITED (GB) | 2010-09-23 | — | — | WO | disclosed |