Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.40 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.40 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8545134 | 0.87 | KDM4E (0.50) | KDM4ECYP1A2CYP2C19HSD17B10TSHR | |
| Hydrochloric Acid SCHEMBL8542140 | 0.85 | KDM4E (0.48) | KDM4ECYP1A2CYP2C19HSD17B10TSHR | |
| Hydrochloric Acid SCHEMBL8542134 | 0.85 | KDM4E (0.48) | KDM4ECYP1A2CYP2C19HSD17B10TSHR | |
| SCHEMBL8544321 | 0.83 | BCHE (0.46) | KDM4ECYP1A2CYP2C19HSD17B10TSHR | |
| SCHEMBL8545346 | 0.81 | BCHE (0.44) | KDM4ECYP1A2CYP2C19HSD17B10TSHR | |
| SCHEMBL8543400 | 0.79 | BCHE (0.44) | KDM4ECYP1A2CYP2C19HSD17B10TSHR | |
| SCHEMBL8545486 | 0.78 | MEN1 (0.48) | KDM4ECYP1A2CYP2C19HSD17B10TSHR | |
| SCHEMBL8545799 | 0.78 | ACHE (0.43) | KDM4ECYP1A2CYP2C19HSD17B10TSHR | |
| SCHEMBL8545791 | 0.77 | IGF1R (0.42) | KDM4ECYP1A2CYP2C19HSD17B10TSHR | |
| SCHEMBL8549310 | 0.77 | ADORA2A (0.44) | KDM4ECYP1A2CYP2C19HSD17B10TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5179100-A | Analgesics | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1993-01-12 | — | — | US | claimed |
| EP-0560231-B1 | Pyrazolo(3,4-a)acridine derivatives as analgesics | HOECHST MARION ROUSSEL INC (US) | 1998-06-03 | — | — | EP | disclosed |
| EP-0560231-A1 | Pyrazolo(3,4-a)acridine derivatives as analgesics | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1993-09-15 | — | — | EP | disclosed |
| US-5179100-A | Analgesics | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1993-01-12 | — | — | US | disclosed |