Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.48 |
| ▸ | MAOB | P27338 | 7/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MITF | O75030 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | THRA | P10827 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27947435 | 0.78 | TRPA1 (0.58) | CYP1B1MAOBBCHERAB9ANPC1 | |
| SCHEMBL27947433 | 0.78 | TRPA1 (0.58) | CYP1B1MAOBBCHERAB9ANPC1 | |
| SCHEMBL30028217 | 0.76 | MAOB (0.62) | CYP1B1MAOBBCHERAB9ANPC1 | |
| SCHEMBL314323 | 0.75 | RECQL (0.61) | CYP1B1MAOBBCHERAB9ANPC1 | |
| SCHEMBL3412403 | 0.75 | RECQL (0.61) | CYP1B1MAOBBCHERAB9ANPC1 | |
| SCHEMBL314324 | 0.75 | RECQL (0.61) | CYP1B1MAOBBCHERAB9ANPC1 | |
| SCHEMBL28111088 | 0.74 | MAOB (0.45) | CYP1B1MAOBBCHERAB9AGAA | |
| SCHEMBL21065368 | 0.72 | ALDH1A1 (0.56) | CYP1B1MAOBBCHERAB9ANPC1 | |
| SCHEMBL15057913 | 0.71 | ALDH1A1 (0.58) | RAB9ANPC1MAPTSMN1; SMN2TP53 | |
| SCHEMBL28904894 | 0.71 | ALDH1A1 (0.58) | RAB9ANPC1MAPTSMN1; SMN2TP53 |
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-106432591-A | Preparation method of photo-responding molecularly imprinted material for selectively separating and purifying cyclodextrin and derivatives of cyclodextrin | 江南大学 | 2017-02-22 | — | — | CN | disclosed |