Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 11/20 | 0.57 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.47 |
| ▸ | F10 | P00742 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1706682 | 0.87 | PIN1 (0.59) | PIN1ABCG2F10ALDH1A1LMNA | |
| SCHEMBL12519771 | 0.85 | PIN1 (0.57) | PIN1ABCG2F10ALDH1A1LMNA | |
| SCHEMBL30672838 | 0.83 | PIN1 (0.64) | PIN1ABCG2F10ALDH1A1LMNA | |
| SCHEMBL16370549 | 0.83 | PIN1 (0.64) | PIN1ABCG2F10ALDH1A1LMNA | |
| SCHEMBL23243706 | 0.82 | ABCG2 (0.49) | PIN1ABCG2F10ALDH1A1LMNA | |
| Bicarbonate SCHEMBL1707063 | 0.82 | PIN1 (0.54) | PIN1ABCG2F10ALDH1A1LMNA | |
| Bicarbonate SCHEMBL1707062 | 0.82 | PIN1 (0.54) | PIN1ABCG2F10ALDH1A1LMNA | |
| Bicarbonate SCHEMBL1707061 | 0.81 | PIN1 (0.53) | PIN1ABCG2F10ALDH1A1LMNA | |
| SCHEMBL30584601 | 0.79 | ALDH1A1 (0.42) | PIN1ABCG2ALDH1A1LMNAMAPT | |
| SCHEMBL29250960 | 0.79 | ALDH1A1 (0.42) | PIN1ABCG2ALDH1A1LMNAMAPT |
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-116685583-A | Pyrimidine compounds, compositions and pharmaceutical uses thereof | 缆图药品公司 | 2023-09-01 | — | — | CN | disclosed |
| WO-2019177374-A1 | 2, 4, 5-SUBSTITUTED PYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER OR INFLAMMATORY DISEASE | 포로노이바이오 주식회사 | 2019-09-19 | — | — | WO | disclosed |