Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.36 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 3/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | P4HB | P07237 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.34 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9498647 | 0.84 | HTT (0.40) | TSHRALDH1A1KMT2AHTTKDM4E | |
| SCHEMBL9501653 | 0.78 | KMT2A (0.33) | TSHRKMT2A | |
| SCHEMBL9497764 | 0.75 | NOS1 (0.42) | ALDH1A1 | |
| SCHEMBL12225637 | 0.75 | ALDH1A1 (0.45) | CYP2D6LMNATSHRALDH1A1KMT2A | |
| SCHEMBL12464697 | 0.72 | ALDH1A1 (0.42) | CYP2D6LMNATSHRALDH1A1KMT2A | |
| SCHEMBL12130522 | 0.72 | ALDH1A1 (0.42) | CYP2D6LMNATSHRALDH1A1KMT2A | |
| SCHEMBL9497727 | 0.71 | PKM (0.50) | TSHRALDH1A1KMT2AACHECYP2C19 | |
| SCHEMBL9501641 | 0.70 | LMNA (0.36) | CYP2D6LMNATSHRALDH1A1KMT2A | |
| SCHEMBL13266443 | 0.70 | TSHR (0.65) | CYP2D6LMNATSHRALDH1A1KMT2A | |
| SCHEMBL9497997 | 0.70 | PKM (0.52) | ALDH1A1KMT2ACYP2C19KDM4ECA12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0367019-B1 | PHARMACEUTICAL COMPOSITIONS CONTAINING NITROXYALKYL AMINE WITH AN AMIDE FUNCTION, AND METHOD FOR THE PREPARATION OF THE COMPOUNDS | Roche Diagnostics GmbH (DE) | 1993-05-12 | — | — | EP | disclosed |
| US-5037849-A | For treatment of heart and circulatory diseases | BOEHRINGER MANNHEIM GMBH (DE) | 1991-08-06 | — | — | US | disclosed |
| EP-0367019-A1 | Pharmaceutical compositions containing nitroxyalkyl amine with an amide function, and method for the preparation of the compounds | Roche Diagnostics GmbH (DE) | 1990-05-09 | — | — | EP | disclosed |