Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLQ | O75417 | 5/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | GPX4 | P36969 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | JAK2 | O60674 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL14577832 | 0.87 | ALDH1A1 (0.55) | POLQALDH1A1RAB9AHPGDMAPT | |
| SCHEMBL3944199 | 0.85 | ALDH1A1 (0.48) | POLQALDH1A1RAB9AHPGDMAPT | |
| SCHEMBL9547612 | 0.84 | ALDH1A1 (0.57) | POLQALDH1A1RAB9AHPGDMAPT | |
| SCHEMBL18200116 | 0.84 | POLQ (0.52) | POLQALDH1A1RAB9AHPGDMAPT | |
| SCHEMBL11651430 | 0.84 | RAB9A (0.63) | POLQALDH1A1RAB9AHPGDMAPT | |
| SCHEMBL10892759 | 0.83 | POLQ (0.55) | POLQALDH1A1RAB9AHPGDMAPT | |
| SCHEMBL9135583 | 0.83 | RAB9A (0.50) | POLQALDH1A1RAB9ANPC1PAX8 | |
| SCHEMBL2058713 | 0.83 | RAB9A (0.48) | POLQALDH1A1RAB9AHPGDMAPT | |
| SCHEMBL3871929 | 0.83 | POLQ (0.58) | POLQALDH1A1RAB9AHPGDMAPT | |
| SCHEMBL658379 | 0.83 | ALDH1A1 (0.46) | ALDH1A1TP53SMN1; SMN2MEN1KMT2A |
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-2023116390-A1 | PYRIMIDINE-2(1H)-ONE-FUSED BICYCLIC COMPOUND HAVING MAT2A INHIBITORY ACTIVITY AND USE THEREOF | 上海海和药物研究开发股份有限公司 | 2023-06-29 | — | — | WO | disclosed |