Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CPT2 | P23786 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | ACLY | P53396 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| .Beta.-Hydroxyisovaleric Acid SCHEMBL6773882 | 0.88 | HMGCR (0.55) | HMGCRCHRM1TBXA2RADRA1ACYP2C19 | |
| .Beta.-Hydroxyisovaleric Acid SCHEMBL95499 | 0.83 | — | — | |
| .Beta.-Hydroxyisovaleric Acid SCHEMBL5101729 | 0.80 | HMGCR (0.57) | HMGCRCHRM1TBXA2RADRA1ACYP2C19 | |
| .Beta.-Hydroxyisovaleric Acid SCHEMBL723161 | 0.80 | — | — | |
| .Beta.-Hydroxyisovaleric Acid SCHEMBL31058606 | 0.80 | — | — | |
| .Beta.-Hydroxyisovaleric Acid SCHEMBL2340215 | 0.80 | — | — | |
| .Beta.-Hydroxyisovaleric Acid SCHEMBL5159910 | 0.80 | — | — | |
| .Beta.-Hydroxyisovaleric Acid SCHEMBL30764083 | 0.80 | — | — | |
| .Beta.-Hydroxyisovaleric Acid SCHEMBL925875 | 0.80 | — | — | |
| .Beta.-Hydroxyisovaleric Acid SCHEMBL10277346 | 0.80 | — | — |
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-4904667-A | 1H-1,2,4-thiadiazolo(3,4-b)quinazolin-5-one-2,2-dioxides, and a method for increasing the cardiac output of a mammal with them | ORTHO PHARMACEUTICAL CORPORATION (US) | 1990-02-27 | — | — | US | disclosed |