Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 6/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 5/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 9/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.47 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.47 |
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.47 |
| ▸ | ALB | P02768 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | RARB | P10826 | 1/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.47 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL12765585 | 1.00 | AKR1C3 (0.50) | AKR1C3AKR1C2PTGS2PTGS1TSHR | |
| SCHEMBL12765588 | 0.84 | HPGD (0.45) | PTGS2PTGS1GSTP1CA12CA1 | |
| SCHEMBL9427857 | 0.82 | CA12 (0.46) | PTGS2LMNACYP1A2GSTP1CA12 | |
| SCHEMBL9427853 | 0.82 | CA12 (0.46) | PTGS2LMNACYP1A2GSTP1CA12 | |
| SCHEMBL14037287 | 0.81 | CA12 (0.49) | PTGS2CYP2C9GSTP1CA12CA1 | |
| SCHEMBL10306543 | 0.81 | CA12 (0.49) | PTGS2CYP2C9GSTP1CA12CA1 | |
| SCHEMBL5881684 | 0.80 | AKR1C3 (0.73) | AKR1C3AKR1C2PTGS2PTGS1TSHR | |
| SCHEMBL8507243 | 0.79 | CA12 (0.49) | PTGS2TSHRGSTP1CA12CA1 | |
| SCHEMBL10187829 | 0.79 | GSTP1 (0.49) | GSTP1CA12CA1CA2CA4 | |
| SCHEMBL16171931 | 0.78 | PPARA (0.51) | GSTP1CA12CA1CA2CA4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1192170-B1 | PROPARGYL PHENYL ETHER A2A RECEPTOR AGONISTS | CV THERAPEUTICS INC (US) | 2003-05-14 | — | — | EP | disclosed |
| US-6180615-B1 | STIMULATE MAMMALIAN CORONARY VASODILATATION FOR THERAPEUTIC PURPOSES AND FOR PURPOSES OF IMAGING THE HEART | CV THERAPEUTICS, INC. | 2001-01-30 | — | — | US | disclosed |