Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC1A3 | P43003 | 1/20 | 0.32 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.32 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL349574 | 0.83 | TSHR (0.33) | ALDH1A1TSHRCHRNB2CHRNA4 | |
| Bicarbonate SCHEMBL6258274 | 0.82 | TP53 (0.39) | SLC1A3SLC1A2SLC1A1TP53ALDH1A1 | |
| Acetic Acid SCHEMBL10711426 | 0.79 | FFAR3 (0.47) | SLC1A3SLC1A2SLC1A1TP53ALDH1A1 | |
| Acetone SCHEMBL593191 | 0.76 | LMNA (0.43) | SLC1A3SLC1A2SLC1A1TP53ALDH1A1 | |
| Dimethylcarbate SCHEMBL15360 | 0.74 | — | — | |
| Dimethylcarbate SCHEMBL1232328 | 0.74 | — | — | |
| Lactic Acid SCHEMBL28158392 | 0.74 | TP53 (0.65) | SLC1A3SLC1A2SLC1A1TP53TSHR | |
| SCHEMBL1785595 | 0.74 | CHRNB2 (0.38) | TSHRCHRNB2CHRNA4 | |
| SCHEMBL9464855 | 0.74 | CHRNB2 (0.35) | ALDH1A1CHRNB2CHRNA4 | |
| Alanine SCHEMBL5676881 | 0.72 | SLC1A3 (0.48) | SLC1A3SLC1A2SLC1A1TP53ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004080979-A1 | NOVEL 3-(2-AMINO-4-PYRIMIDINYL)-4-HYDROXYPHENYL KETONE DERIVATIVES | LG LIFE SCIENCES LTD. (KR) | 2004-09-23 | — | — | WO | claimed |
| WO-2004080979-A1 | NOVEL 3-(2-AMINO-4-PYRIMIDINYL)-4-HYDROXYPHENYL KETONE DERIVATIVES | LG LIFE SCIENCES LTD. (KR) | 2004-09-23 | — | — | WO | disclosed |