Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.62 |
| ▸ | TP53 | P04637 | 1/20 | 0.62 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 8/20 | 0.48 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL28547772 | 0.79 | ALDH1A1 (0.56) | ALDH1A1TDP1TP53RECQLMAPT | |
| SCHEMBL11207452 | 0.77 | ALDH1A1 (1.00) | ALDH1A1TDP1TP53RECQLMAPT | |
| SCHEMBL11325997 | 0.73 | ALDH1A1 (0.71) | ALDH1A1TDP1TP53RECQLMAPT | |
| SCHEMBL6752911 | 0.73 | ALDH1A1 (0.66) | ALDH1A1TDP1TP53RECQLMAPT | |
| SCHEMBL28557059 | 0.73 | CYP2C9 (0.55) | ALDH1A1TP53CYP2C9CYP2C19KMT2A | |
| SCHEMBL201255 | 0.73 | ALDH1A1 (0.57) | ALDH1A1TDP1TP53RECQLMAPT | |
| SCHEMBL28339321 | 0.71 | NAAA (0.50) | ALDH1A1MAPTKMT2AHPGDSMN1; SMN2 | |
| SCHEMBL13686173 | 0.70 | ALDH1A1 (0.60) | ALDH1A1TDP1TP53RECQLMAPT | |
| SCHEMBL7927400 | 0.69 | MAPT (0.68) | ALDH1A1TDP1TP53MAPTADAM17 | |
| SCHEMBL7743397 | 0.67 | ALDH1A1 (0.57) | ALDH1A1TDP1TP53RECQLMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-109180607-B | Method for synthesizing thiazine diketone heterocyclic compound by catalyzing carbonyl sulfide conversion with organic catalyst | 大连理工大学 | 2021-04-16 | — | — | CN | disclosed |