Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.47 |
| ▸ | ACLY | P53396 | 2/20 | 0.42 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.41 |
| ▸ | FBP1 | P09467 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 3/20 | 0.40 |
| ▸ | CHUK | O15111 | 3/20 | 0.40 |
| ▸ | FLT1 | P17948 | 2/20 | 0.40 |
| ▸ | FLT4 | P35916 | 2/20 | 0.40 |
| ▸ | KDR | P35968 | 2/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | F10 | P00742 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.39 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.39 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8997308 | 0.84 | BCAT2 (0.62) | BCAT2IKBKBCHUKCASP1KDM4E | |
| SCHEMBL17609420 | 0.78 | BCAT2 (0.61) | BCAT2PTGDR2IKBKBCHUKCASP1 | |
| SCHEMBL4030359 | 0.76 | BCAT2 (0.63) | BCAT2PTGDR2IKBKBCHUKCASP1 | |
| SCHEMBL10595756 | 0.75 | TSHR (0.50) | ACLYFLT1FLT4KDRCASP1 | |
| SCHEMBL3039623 | 0.74 | S100A4 (0.46) | ACLYPTGDR2FBP1KDM4E | |
| SCHEMBL250146 | 0.74 | PTGS2 (0.56) | FBP1KDM4EALDH1A1GAAFGFR1 | |
| SCHEMBL31463127 | 0.73 | AKR1B1 (0.56) | CASP1ALDH1A1GAA | |
| SCHEMBL6562906 | 0.71 | ACLY (0.47) | ACLYPTGDR2FBP1KDM4E | |
| SCHEMBL5161585 | 0.71 | PTGS2 (0.54) | KDM4EALDH1A1 | |
| SCHEMBL18921578 | 0.71 | MKNK1 (0.48) | BCAT2 |
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-5512681-A | HORMONE INHIBITORS FOR TREATMENT OF HYPERTENSION OR CONGESTIVE HEART FAILURE | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1996-04-30 | — | — | US | disclosed |