Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | ATM | Q13315 | 2/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 5/20 | 0.35 |
| ▸ | ABCC1 | P33527 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19254677 | 0.75 | ABCC1 (0.39) | ALDH1A1POLBMEN1KMT2AATM | |
| SCHEMBL20680892 | 0.69 | PKM (0.45) | ALDH1A1CYP3A4POLBMEN1KMT2A | |
| SCHEMBL28067912 | 0.68 | KMT2A (0.53) | ALDH1A1NPSR1MEN1KMT2AMAPT | |
| SCHEMBL18038909 | 0.67 | ALDH1A1 (0.49) | ALDH1A1NPSR1POLBMEN1KMT2A | |
| SCHEMBL19239593 | 0.67 | ALDH1A1 (0.42) | ALDH1A1CYP3A4MEN1KMT2AATM | |
| SCHEMBL19086066 | 0.66 | KMT2A (0.39) | ALDH1A1POLBMEN1KMT2AATM | |
| SCHEMBL27020103 | 0.65 | ALDH1A1 (0.41) | ALDH1A1POLBMEN1KMT2AATM | |
| SCHEMBL28892895 | 0.64 | L3MBTL1 (0.65) | ALDH1A1POLBMAPTHPGDSMN1; SMN2 | |
| SCHEMBL19254835 | 0.64 | LMNA (0.33) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL17059202 | 0.63 | PKM (0.46) | ALDH1A1CYP1A2CYP3A4CYP2C19POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-3216786-A1 | PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF | Shanghai Shaletech Technology Co., Ltd. (CN) | 2017-09-13 | — | — | EP | disclosed |