Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 2/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL31275168 | 0.76 | KIF11 (0.47) | ALDH1A1GAAMAPTTDP1L3MBTL1 | |
| SCHEMBL10710630 | 0.74 | LMNA (0.51) | ALDH1A1GAACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29111812 | 0.74 | KMT2A (0.46) | ALDH1A1CYP1A2KMT2AMAPTTDP1 | |
| SCHEMBL28024794 | 0.71 | MAPT (0.49) | ALDH1A1GAACYP1A2CYP2C19KMT2A | |
| SCHEMBL15300224 | 0.71 | MAPT (0.47) | ALDH1A1KMT2AMAPTTDP1KDM4E | |
| SCHEMBL31273808 | 0.70 | HSD17B10 (0.52) | ALDH1A1GAACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL28508119 | 0.69 | ALDH1A1 (0.49) | ALDH1A1GAAKMT2AMAPTKDM4E | |
| SCHEMBL27438012 | 0.69 | MAPT (0.44) | ALDH1A1GAACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL30557581 | 0.66 | NPC1 (0.33) | EPHX2 | |
| SCHEMBL2481016 | 0.66 | GABRG2 (0.42) | ALDH1A1ELANE |
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-112566901-A | Phenyl-substituted pyrazoles as modulators of ROR γ t | 詹森药业有限公司 | 2021-03-26 | — | — | CN | disclosed |