Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CFTR | P13569 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | BCHE | P06276 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | BACE1 | P56817 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28660786 | 0.78 | POLB (0.39) | ALDH1A1MAPTLMNASMN1; SMN2TDP1 | |
| SCHEMBL28136615 | 0.78 | MAPT (0.43) | ALDH1A1MAPTLMNASMN1; SMN2KDM4E | |
| SCHEMBL16472094 | 0.75 | AR (0.52) | ARALDH1A1MAPTLMNASMN1; SMN2 | |
| SCHEMBL3157403 | 0.70 | KDM4E (0.45) | ALDH1A1MAPTLMNASMN1; SMN2KDM4E | |
| SCHEMBL5626457 | 0.68 | ALDH1A1 (0.74) | ALDH1A1MAPTLMNASMN1; SMN2TDP1 | |
| SCHEMBL27374302 | 0.68 | KDM4E (0.48) | ALDH1A1MAPTLMNASMN1; SMN2KDM4E | |
| SCHEMBL12220148 | 0.68 | KDM4E (0.54) | ALDH1A1MAPTLMNASMN1; SMN2KDM4E | |
| SCHEMBL8203959 | 0.68 | AR (0.52) | ARALDH1A1MAPTLMNASMN1; SMN2 | |
| SCHEMBL4726227 | 0.67 | SIGMAR1 (0.39) | ALDH1A1LMNASMN1; SMN2ACHEKMT2A | |
| SCHEMBL5608438 | 0.67 | SIGMAR1 (0.39) | LMNASMN1; SMN2KDM4EPOLB |
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-106432055-A | Preparation method of niraparib intermediate 4-(piperidyl-3-yl)aniline | 青岛辰达生物科技有限公司 | 2017-02-22 | — | — | CN | disclosed |