Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | MKNK1 | Q9BUB5 | 5/20 | 0.56 |
| ▸ | MKNK2 | Q9HBH9 | 5/20 | 0.56 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.52 |
| ▸ | KIF11 | P52732 | 1/20 | 0.52 |
| ▸ | KDR | P35968 | 2/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | WNT3A | P56704 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL17194812 | 0.83 | CYP2A6 (0.65) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL29666522 | 0.83 | CYP2A6 (0.65) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL24534338 | 0.82 | CYP2A6 (0.88) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL29360677 | 0.82 | CYP2A6 (0.88) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL13907273 | 0.82 | CYP2A6 (0.88) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL3794565 | 0.80 | CYP2A6 (0.60) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL5778503 | 0.80 | CYP2A6 (0.60) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL15158543 | 0.80 | CYP1A2 (0.60) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL15158491 | 0.78 | CYP1A2 (0.58) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL21012613 | 0.78 | CYP2A6 (0.58) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106432054-A | Method for preparing 4-(piperidine-3-yl)aniline | 青岛云天生物技术有限公司 | 2017-02-22 | — | — | CN | disclosed |
| 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 |
| 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 |