Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XIAP | P98170 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9198495 | 0.88 | ALDH1A1 (0.39) | XIAPTSHRLMNACHRM2ADRA2A | |
| SCHEMBL9195252 | 0.85 | HSD11B1 (0.38) | XIAPTSHRLMNACHRM2ADRA2A | |
| SCHEMBL9199610 | 0.79 | XIAP (0.40) | XIAPLMNAMAPTHTR2AHTR2B | |
| SCHEMBL6606184 | 0.77 | LDHA (0.45) | XIAPLMNASIGMAR1HTR2BHDAC3 | |
| SCHEMBL6175910 | 0.75 | HSD11B1 (0.44) | KMT2AHSD11B1MEN1CYP2C9 | |
| SCHEMBL9195240 | 0.72 | LDHA (0.38) | XIAPESR1ESR2 | |
| SCHEMBL9199838 | 0.71 | GAA (0.35) | XIAPLMNACHRM2ADRA2ACYP2D6 | |
| SCHEMBL6603207 | 0.69 | LDHA (0.47) | XIAPTSHRLMNACHRM2ADRA2A | |
| SCHEMBL6175954 | 0.68 | HSD11B1 (0.48) | TSHRCHRM2ADRA2ADRD1KMT2A | |
| SCHEMBL8986018 | 0.66 | OPRM1 (0.50) | KMT2AMAPTSIGMAR1HDAC3MAPK1 |
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-0668860-A1 | PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES | PHARMACIA & UPJOHN COMPANY (US) | 1995-08-30 | — | — | EP | claimed |
| EP-0668860-A1 | PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES | PHARMACIA & UPJOHN COMPANY (US) | 1995-08-30 | — | — | EP | disclosed |