Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.52 |
| ▸ | KRAS | P01116 | 2/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | MMP1 | P03956 | 1/20 | 0.48 |
| ▸ | APP | P05067 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.45 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.45 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8832165 | 1.00 | PTGS2 (0.52) | PTGS2CYP19A1KRASMAOAMAOB | |
| SCHEMBL9523759 | 0.87 | PTGS2 (0.69) | PTGS2CYP19A1KRASMAOAMAOB | |
| SCHEMBL9523755 | 0.87 | PTGS2 (0.69) | PTGS2CYP19A1KRASMAOAMAOB | |
| SCHEMBL9522624 | 0.85 | CYP19A1 (0.55) | PTGS2CYP19A1KRASMAOAMAOB | |
| SCHEMBL9522627 | 0.85 | CYP19A1 (0.55) | PTGS2CYP19A1KRASMAOAMAOB | |
| SCHEMBL30839393 | 0.83 | MAPT (0.66) | PTGS2CYP19A1MAOAMAOBTLR9 | |
| SCHEMBL1597196 | 0.83 | MAPT (0.66) | PTGS2CYP19A1MAOAMAOBTLR9 | |
| SCHEMBL9478343 | 0.81 | MAOB (0.73) | PTGS2KRASMAOAMAOBTLR9 | |
| SCHEMBL9478353 | 0.81 | MAOB (0.73) | PTGS2KRASMAOAMAOBTLR9 | |
| SCHEMBL8832242 | 0.81 | MAPT (0.53) | PTGS2CYP19A1ALDH1A1KMT2AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-5670492-A | BACTERICIDE, ANTITUMOR AGENT | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1997-09-23 | — | — | US | disclosed |
| EP-0702014-A1 | DC-89 DERIVATIVE | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1996-03-20 | — | — | EP | disclosed |