Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.44 |
| ▸ | BRAF | P15056 | 2/20 | 0.43 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 3/20 | 0.40 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | CASR | P41180 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL3060822 | 0.83 | NOTUM (0.42) | NOTUMBRAFSRCKDRADORA3 | |
| SCHEMBL17803164 | 0.82 | NOTUM (0.52) | NOTUMBRAFSRCKDRADORA3 | |
| SCHEMBL27497539 | 0.80 | SRC (0.40) | NOTUMBRAFSRCKDRADORA3 | |
| SCHEMBL19807433 | 0.80 | KCNH2 (0.41) | NOTUMBRAFSRCKDRADORA3 | |
| SCHEMBL17814158 | 0.80 | CTSS (0.47) | NOTUMBRAFSRCKDRADORA3 | |
| SCHEMBL27496521 | 0.80 | SRC (0.40) | NOTUMBRAFSRCKDRADORA3 | |
| SCHEMBL17973836 | 0.80 | CTSS (0.47) | NOTUMBRAFSRCKDRADORA3 | |
| SCHEMBL2611844 | 0.79 | NPC1 (0.44) | NOTUMBRAFSRCKDRADORA3 | |
| SCHEMBL5001181 | 0.79 | NOTUM (0.52) | NOTUMBRAFSRCKDRADORA3 | |
| SCHEMBL718415 | 0.79 | PTGS2 (0.42) | NOTUMBRAFSRCKDRADORA3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106029640-B | Pyrazolinone compounds and application thereof | 泰普斯特医疗公司 | 2018-08-24 | — | — | CN | disclosed |
| EP-1585733-A1 | HETEROCYCLIC PPAR MODULATORS | ELI LILLY AND COMPANY (US) | 2005-10-19 | — | — | EP | disclosed |
| WO-2004063166-A1 | HETEROCYCLIC PPAR MODULATORS | ELI LILLY AND COMPANY (US) | 2004-07-29 | — | — | WO | disclosed |