Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.59 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.59 |
| ▸ | PLK1 | P53350 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 3/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.51 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.47 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.47 |
| ▸ | ITGAL | P20701 | 1/20 | 0.47 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7349608 | 0.92 | TAS1R3 (0.60) | TAS1R3TAS1R1PLK1HDAC1HDAC2 | |
| SCHEMBL7349601 | 0.92 | TAS1R3 (0.60) | TAS1R3TAS1R1PLK1HDAC1HDAC2 | |
| SCHEMBL7330575 | 0.84 | MGAM (0.52) | CA2CA1BCAT1ITGB2ICAM1 | |
| SCHEMBL4165636 | 0.83 | TAS1R3 (0.79) | TAS1R3TAS1R1PLK1CA2CA1 | |
| SCHEMBL31419202 | 0.78 | PLK1 (0.72) | TAS1R3TAS1R1PLK1HDAC1HDAC2 | |
| SCHEMBL3492806 | 0.78 | PLK1 (0.72) | TAS1R3TAS1R1PLK1HDAC1HDAC2 | |
| SCHEMBL7329768 | 0.76 | PARP1 (0.54) | CA2CA1ALDH1A1RAB9AMAPT | |
| SCHEMBL9749106 | 0.75 | PLK1 (0.73) | TAS1R3TAS1R1PLK1HDAC1HDAC2 | |
| SCHEMBL28830879 | 0.75 | CA2 (0.54) | CA2CA1HDAC1LMNAITGB2 | |
| SCHEMBL30037941 | 0.75 | CA2 (0.54) | CA2CA1HDAC1LMNAITGB2 |
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-5545640-A | VIRICIDES, HIV; AIDS | BIO-MEGA/BOEHRINGER INGELEHEIM RESEARCH INC. (CA) | 1996-08-13 | — | — | US | disclosed |