Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FYN | P06241 | 1/20 | 0.58 |
| ▸ | BRAF | P15056 | 5/20 | 0.54 |
| ▸ | KDR | P35968 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4991252 | 0.82 | FYN (0.62) | FYNBRAFKDRMEN1KMT2A | |
| SCHEMBL5003313 | 0.77 | FYN (0.59) | FYNBRAFKDRCYP1A2ALDH1A1 | |
| SCHEMBL10119808 | 0.77 | FYN (0.53) | FYNBRAFKDR | |
| SCHEMBL23110910 | 0.74 | PDGFRB (0.49) | TP53NPC1TSHRRAB9AMEN1 | |
| SCHEMBL18613249 | 0.74 | FYN (1.00) | FYNBRAFKDRTP53NPC1 | |
| SCHEMBL23110841 | 0.73 | NPC1 (0.52) | TP53NPC1TSHRRAB9AMEN1 | |
| SCHEMBL22827975 | 0.73 | TP53 (0.48) | FYNKDRTP53NPC1TSHR | |
| SCHEMBL22191355 | 0.73 | FYN (0.60) | FYNBRAFKDRCCNT1MAPK1 | |
| SCHEMBL19411951 | 0.72 | FYN (0.56) | FYNBRAFKDRTP53NPC1 | |
| SCHEMBL22828100 | 0.72 | PTGS2 (0.67) | FYNKDRTP53NPC1TSHR |
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-2021050700-A1 | CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF | THE BROAD INSTITUTE, INC. (US) | 2021-03-18 | — | — | WO | disclosed |