Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8563128 | 0.85 | KDM4E (0.37) | ALDH1A1ENPP1S1PR1CYP1A2CYP2C19 | |
| SCHEMBL8561182 | 0.84 | HSD17B10 (0.36) | ALDH1A1ADORA2AADORA1S1PR1CYP1A2 | |
| SCHEMBL8326771 | 0.80 | SRC (0.42) | KDM4EMAPTTDP1L3MBTL1GAA | |
| SCHEMBL8326372 | 0.79 | TSHR (0.40) | ALDH1A1CYP1A2KDM4ELMNATSHR | |
| SCHEMBL8327645 | 0.78 | KMT2A (0.51) | ALDH1A1KDM4ETSHRMAPTHPGD | |
| SCHEMBL8326185 | 0.78 | SLC2A1 (0.40) | LMNATSHRDPP4 | |
| SCHEMBL8565727 | 0.75 | KDM4E (0.33) | ALDH1A1ADORA1CYP1A2CYP2C19KDM4E | |
| SCHEMBL8321420 | 0.74 | SMN1; SMN2 (0.39) | ALDH1A1ENPP1CYP1A2CYP2C19KDM4E | |
| SCHEMBL8566080 | 0.72 | PDE4B (0.43) | KDM4EMAPTL3MBTL1GAA | |
| SCHEMBL8567944 | 0.72 | KDM4E (0.38) | ALDH1A1ENPP1ADORA2AADORA1CYP1A2 |
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-0618916-B1 | ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES | KNOLL AG (DE) | 1998-09-23 | — | — | EP | disclosed |
| US-5464781-A | TREATING RHEUMATIC DISEASES | THE BOOTS COMPANY PLC (GB) | 1995-11-07 | — | — | US | disclosed |