Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | ACACA | Q13085 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ACLY | P53396 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL11623129 | 0.91 | ACACB (0.35) | ACACBACACATSHRALDH1A1ACLY | |
| SCHEMBL10381755 | 0.83 | RNPEP (0.31) | — | |
| SCHEMBL28552427 | 0.81 | ACACB (0.41) | ACACBACACATSHRALDH1A1ACLY | |
| SCHEMBL301722 | 0.79 | ACACB (0.40) | ACACBACACATSHRALDH1A1ACLY | |
| SCHEMBL19406690 | 0.78 | — | — | |
| SCHEMBL21973258 | 0.78 | ACACB (0.33) | ACACBACACAACLY | |
| SCHEMBL28065512 | 0.77 | ACACB (0.39) | ACACBACACATSHRALDH1A1ACLY | |
| SCHEMBL28065497 | 0.77 | ACACB (0.39) | ACACBACACATSHRALDH1A1ACLY | |
| SCHEMBL20780648 | 0.76 | TSHR (0.32) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL14293779 | 0.76 | ACACB (0.44) | ACACBACACAACLY |
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 |
|---|---|---|---|---|---|---|---|
| US-5117022-A | Antitumor | THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1992-05-26 | — | — | US | disclosed |
| EP-0138553-A2 | Purification of esters of alkanoic acids | ELI LILLY AND COMPANY (US) | 1985-04-24 | — | — | EP | disclosed |