Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Pyrrolidine SCHEMBL3834380 | 0.87 | — | — | |
| Piperidine SCHEMBL63825 | 0.85 | ALDH1A1 (0.53) | ALDH1A1TDP1LMNAALOX15BLM | |
| Pyrrolidine SCHEMBL27400792 | 0.85 | LMNA (0.47) | ALDH1A1TDP1LMNAALOX15BLM | |
| Piperidine SCHEMBL7686112 | 0.83 | ALDH1A1 (0.45) | ALDH1A1TDP1KDM4EKMT2AMAPT | |
| Piperazine SCHEMBL27623601 | 0.82 | ALDH1A1 (0.62) | ALDH1A1TDP1ALOX15PMP22MAPT | |
| Piperazine SCHEMBL28229779 | 0.79 | ALDH1A1 (0.59) | ALDH1A1TDP1ALOX15PMP22KDM4E | |
| Pyrrolidine SCHEMBL6704549 | 0.79 | KDM4E (0.41) | ALDH1A1LMNAALOX15BLMPMP22 | |
| Butanone SCHEMBL28107093 | 0.79 | — | — | |
| Piperidine SCHEMBL28047155 | 0.78 | FFAR3 (0.50) | ALDH1A1TDP1LMNAPMP22KMT2A | |
| Piperidine SCHEMBL6861563 | 0.77 | FFAR3 (0.56) | ALDH1A1TDP1LMNAPMP22CXCR4 |
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-107973738-A | (R) preparation method of-Esomeprazole crystal form I | 重庆润泽医药有限公司 | 2018-05-01 | — | — | CN | claimed |