Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NNMT | P40261 | 2/20 | 0.39 |
| ▸ | GPR52 | Q9Y2T5 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 2/20 | 0.36 |
| ▸ | CES1 | P23141 | 2/20 | 0.36 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8150193 | 1.00 | LCK (0.41) | LCKCYP1A2CYP2A6TSHRNNMT | |
| SCHEMBL8154315 | 0.82 | DGAT1 (0.40) | TSHRNNMTKDM4EIRAK4POLB | |
| SCHEMBL2852106 | 0.80 | KEAP1 (0.47) | NNMTPARP1KEAP1KMT2ANPC1 | |
| SCHEMBL8140936 | 0.80 | IRAK4 (0.54) | TSHRNNMTMAPTPARP1KDM4E | |
| SCHEMBL2465455 | 0.80 | CES2 (0.47) | NNMTGPR52PARP1KEAP1KMT2A | |
| SCHEMBL8141517 | 0.79 | KDM4E (0.50) | LCKCYP2A6GPR52MAPTKDM4E | |
| SCHEMBL8150190 | 0.79 | DGAT1 (0.47) | LCKCYP2A6MAPTPARP1KDM4E | |
| SCHEMBL8149236 | 0.79 | KDM4E (0.50) | LCKCYP2A6GPR52MAPTKDM4E | |
| SCHEMBL8155359 | 0.79 | DGAT1 (0.47) | LCKCYP2A6MAPTPARP1KDM4E | |
| SCHEMBL811004 | 0.77 | CYP1A2 (0.56) | CYP1A2CYP2A6 |
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-20040116399-A1 | Inhibitors of factor Xa | MILLENNIUM PHARMACEUTICALS, INC. | 2004-06-17 | — | — | US | disclosed |