Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 9/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL14311030 | 0.77 | NPSR1 (0.50) | NPSR1KDM4EALOX15HTTCYP2D6 | |
| SCHEMBL149448 | 0.76 | KDR (0.51) | NPSR1GPR84KDM4EALOX15HTT | |
| SCHEMBL14286538 | 0.74 | NPSR1 (0.47) | NPSR1HTR6KDM4EALOX15HTT | |
| SCHEMBL144879 | 0.66 | CHEK1 (0.50) | NPSR1HTR6OPRM1OPRK1 | |
| SCHEMBL143698 | 0.66 | NPSR1 (0.43) | NPSR1GPR84KDM4EALOX15HTT | |
| SCHEMBL5058960 | 0.64 | CHEK1 (0.52) | NPSR1 | |
| SCHEMBL7116590 | 0.62 | CHEK1 (0.46) | KDM4ETSHRLMNAALDH1A1 | |
| SCHEMBL172902 | 0.61 | CHEK1 (0.67) | — | |
| SCHEMBL1029651 | 0.60 | RECQL (0.73) | KDM4ECYP2D6TSHRLMNAALDH1A1 | |
| Hydrochloric Acid SCHEMBL5677881 | 0.60 | CHEK1 (0.66) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003020276-A1 | TYROSINE KINASE INHIBITORS | MERCK & CO., INC. (US) | 2003-03-13 | — | — | WO | disclosed |