Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.45 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.45 |
| ▸ | MMP2 | P08253 | 4/20 | 0.44 |
| ▸ | MMP12 | P39900 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MITF | O75030 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18373105 | 0.81 | FFAR1 (0.61) | ALDH1A1FFAR1FFAR4MMP2MMP12 | |
| SCHEMBL18357090 | 0.81 | FFAR1 (0.50) | ALDH1A1HTTFFAR1FFAR4MMP2 | |
| SCHEMBL18357088 | 0.78 | GABRP (0.47) | ALDH1A1HTTFFAR1FFAR4MMP2 | |
| SCHEMBL139332 | 0.75 | ALDH1A1 (0.46) | ALDH1A1HTTFFAR1FFAR4MMP2 | |
| SCHEMBL18357020 | 0.74 | GABRP (0.49) | ALDH1A1HTTFFAR1FFAR4MMP2 | |
| SCHEMBL18356654 | 0.73 | FFAR1 (0.46) | ALDH1A1FFAR1FFAR4MMP2MMP12 | |
| SCHEMBL25175683 | 0.73 | GABRP (0.50) | ALDH1A1HTTFFAR1FFAR4MMP2 | |
| SCHEMBL5886550 | 0.72 | KCNH2 (0.59) | ALDH1A1HTTFFAR1FFAR4MMP2 | |
| SCHEMBL12535852 | 0.72 | KCNH2 (0.42) | ALDH1A1HTTFFAR1FFAR4MMP2 | |
| SCHEMBL28739809 | 0.71 | KCNH2 (0.54) | ALDH1A1HTTFFAR1FFAR4MMP2 |
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-112574054-B | Efficient nitriding reagent and application thereof | 北京大学 | 2022-10-14 | — | — | CN | disclosed |
| CN-112574054-A | Efficient nitriding reagent and application thereof | 北京大学 | 2021-03-30 | — | — | CN | disclosed |