Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.61 |
| ▸ | MAPT | P10636 | 6/20 | 0.61 |
| ▸ | GFER | P55789 | 3/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | LGMN | Q99538 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.42 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2151759 | 1.00 | ALDH1A1 (0.61) | ALDH1A1MAPTGFERLMNAMAPK1 | |
| SCHEMBL18396814 | 0.94 | ALDH1A1 (0.55) | ALDH1A1MAPTGFERLMNAMAPK1 | |
| SCHEMBL18396740 | 0.90 | ALDH1A1 (0.58) | ALDH1A1MAPTGFERLMNAMAPK1 | |
| SCHEMBL17265648 | 0.87 | ALDH1A1 (0.77) | ALDH1A1MAPTGFERLMNAMAPK1 | |
| SCHEMBL3442442 | 0.83 | ALDH1A1 (0.67) | ALDH1A1MAPTGFERLMNAMAPK1 | |
| SCHEMBL7038110 | 0.83 | ALDH1A1 (0.67) | ALDH1A1MAPTGFERLMNAMAPK1 | |
| SCHEMBL30721891 | 0.81 | ALDH1A1 (0.65) | ALDH1A1MAPTGFERLMNAMAPK1 | |
| SCHEMBL4918379 | 0.81 | ALDH1A1 (0.65) | ALDH1A1MAPTGFERLMNAMAPK1 | |
| SCHEMBL157935 | 0.81 | ALDH1A1 (0.65) | ALDH1A1MAPTGFERLMNAMAPK1 | |
| SCHEMBL28901605 | 0.80 | ALDH1A1 (0.63) | ALDH1A1MAPTGFERLMNAMAPK1 |
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-113651799-B | Six-membered non-aromatic ring-containing diaryl pyrimidine HIV-1 reverse transcriptase inhibitor and preparation method and application thereof | 山东大学 | 2022-06-17 | — | — | CN | claimed |
| CN-113651799-B | Six-membered non-aromatic ring-containing diaryl pyrimidine HIV-1 reverse transcriptase inhibitor and preparation method and application thereof | 山东大学 | 2022-06-17 | — | — | CN | disclosed |