Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 12/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 12/20 | 0.40 |
| ▸ | ACACA | Q13085 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20595726 | 0.86 | SMN1; SMN2 (0.46) | KDM4EALDH1A1HSD17B10SMN1; SMN2MTNR1A | |
| SCHEMBL25368777 | 0.78 | AKR1B1 (0.35) | KDM4EALDH1A1HSD17B10MAPTSMN1; SMN2 | |
| SCHEMBL21685783 | 0.78 | CYP1A2 (0.42) | ALDH1A1MTNR1AMTNR1B | |
| SCHEMBL5624696 | 0.77 | MAPT (0.54) | KDM4EALDH1A1HSD17B10MAPTSMN1; SMN2 | |
| SCHEMBL21685149 | 0.76 | ELANE (0.37) | MAPTMTNR1AMTNR1BKMT2A | |
| SCHEMBL21685060 | 0.72 | MAPT (0.40) | KDM4EALDH1A1MAPTMTNR1AMTNR1B | |
| SCHEMBL28590078 | 0.72 | MAPT (0.43) | ALDH1A1MAPTSMN1; SMN2MTNR1AMTNR1B | |
| SCHEMBL11326015 | 0.70 | RPS6KB2 (0.48) | KDM4EALDH1A1HSD17B10MAPTSMN1; SMN2 | |
| SCHEMBL19475215 | 0.70 | KMT2A (0.49) | KDM4EALDH1A1HSD17B10MAPTSMN1; SMN2 | |
| SCHEMBL31745175 | 0.69 | CYP1A2 (0.46) | KDM4EALDH1A1HSD17B10SMN1; SMN2KMT2A |
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-112789040-A | Transglutaminase 2(TG2) inhibitors | 思达利医药公司 | 2021-05-11 | — | — | CN | disclosed |