Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | ELOVL1 | Q9BW60 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28559128 | 0.86 | RAB9A (0.36) | MEN1KMT2AALDH1A1LMNAPOLB | |
| SCHEMBL28576227 | 0.82 | NPC1 (0.40) | MEN1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28556537 | 0.81 | ALDH1A1 (0.35) | CYP1A2CYP2C9CYP2C19KMT2AALDH1A1 | |
| SCHEMBL29009128 | 0.76 | HCRTR1 (0.45) | MEN1KMT2AALDH1A1HCRTR1SMN1; SMN2 | |
| SCHEMBL29005556 | 0.75 | CD274 (0.47) | ALOX15MEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL13425961 | 0.71 | CD274 (0.52) | ALOX15MEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL21187503 | 0.70 | CYP4F2 (0.43) | KDM4ENPC1MAPTRAB9AHSD17B10 | |
| SCHEMBL10040497 | 0.70 | CHRNB2 (0.48) | ALOX15MEN1CYP1A2CYP3A4PKM | |
| SCHEMBL27037194 | 0.68 | CNR1 (0.40) | RXFP1 | |
| SCHEMBL28483450 | 0.68 | MCL1 (0.49) | ALOX15MEN1CYP1A2CYP3A4CYP2D6 |
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-112125891-B | N2Selective tetrahydrofuran/tetrahydrothiophene substituted triazole derivative and synthesis method and application thereof | 华东师范大学 | 2022-06-07 | — | — | CN | disclosed |
| CN-112125891-A | N2Selective tetrahydrofuran/tetrahydrothiophene substituted triazole derivative and synthesis method and application thereof | 华东师范大学 | 2020-12-25 | — | — | CN | disclosed |