Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAT1 | P18440 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | PIK3C2B | O00750 | 1/20 | 0.40 |
| ▸ | PIK3C2G | O75747 | 1/20 | 0.40 |
| ▸ | IL1RN | P18510 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8628072 | 0.87 | ERBB2 (0.45) | KDM4ERXFP1NPSR1GAAPOLB | |
| SCHEMBL8629389 | 0.87 | ERBB2 (0.45) | NAT1KDM4ERXFP1NPSR1GAA | |
| SCHEMBL8627628 | 0.83 | FFAR4 (0.44) | NAT1KDM4ERXFP1NPSR1CYP2C19 | |
| SCHEMBL8629394 | 0.83 | KDM4E (0.40) | NAT1KDM4ERXFP1NPSR1GAA | |
| SCHEMBL8632286 | 0.82 | KIT (0.45) | KDM4ERXFP1NPSR1GAAALDH1A1 | |
| SCHEMBL8627973 | 0.82 | KDM1A (0.51) | NAT1KDM4ERXFP1NPSR1GAA | |
| SCHEMBL8631080 | 0.82 | KMO (0.52) | KDM4ERXFP1NPSR1GAACYP2D6 | |
| SCHEMBL8631659 | 0.79 | NAT1 (0.53) | NAT1KDM4ERXFP1NPSR1ERBB2 | |
| SCHEMBL8631173 | 0.79 | POLB (0.43) | KDM4ERXFP1NPSR1GAAPOLB | |
| SCHEMBL8630955 | 0.78 | IMPDH2 (0.54) | KDM4ERXFP1NPSR1GAAIL1RN |
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 |
|---|---|---|---|---|---|---|---|
| US-5756530-A | NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS | G. D. SEARLE & CO. (US) | 1998-05-26 | — | — | US | disclosed |