Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL286715 | 0.84 | CYP1A2 (0.50) | CYP1A2CYP2C19ALDH1A1KMT2APOLB | |
| SCHEMBL28148660 | 0.73 | ACHE (0.45) | CYP1A2CYP2C19ALDH1A1KMT2APOLB | |
| SCHEMBL6343725 | 0.73 | ACHE (0.45) | CYP1A2CYP2C19ALDH1A1KMT2APOLB | |
| SCHEMBL8930901 | 0.71 | CYP1A2 (0.42) | CYP1A2CYP2C19ALDH1A1KMT2AKDM4E | |
| SCHEMBL102473 | 0.70 | CYP1A2 (0.59) | CYP1A2CYP2C19ALDH1A1KMT2AACHE | |
| SCHEMBL186269 | 0.70 | ALDH1A1 (0.50) | ALDH1A1KMT2APOLBKDM4EHSD17B10 | |
| SCHEMBL6415733 | 0.70 | TSHR (0.50) | ALDH1A1POLBKDM4EHSD17B10HPGD | |
| SCHEMBL13780122 | 0.69 | ALDH1A1 (0.39) | ALDH1A1KMT2APOLBACHEKDM4E | |
| SCHEMBL1154651 | 0.69 | L3MBTL1 (0.47) | CYP1A2CYP2C19ALDH1A1KMT2AHSD17B10 | |
| SCHEMBL19062287 | 0.68 | ALDH1A1 (0.46) | ALDH1A1KDM4EHSD17B10HPGDDRD2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0892784-A1 | AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | Astra Pharmaceuticals Limited (GB) | 1999-01-27 | — | — | EP | disclosed |
| WO-1997038977-A1 | AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | ASTRA PHARMACEUTICALS LTD. (GB) | 1997-10-23 | — | — | WO | disclosed |