Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.61 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CDC7 | O00311 | 2/20 | 0.37 |
| ▸ | DBF4 | Q9UBU7 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Ethyl Acetate SCHEMBL902253 | 1.00 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10TSHRNAPRT | |
| Ethyl Acetate SCHEMBL11661625 | 1.00 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10TSHRNAPRT | |
| Ethyl Acetate SCHEMBL27540812 | 0.98 | ALDH1A1 (0.58) | ALDH1A1LMNAHSD17B10TSHRNAPRT | |
| Ethyl Acetate SCHEMBL7281476 | 0.98 | ALDH1A1 (0.58) | ALDH1A1LMNAHSD17B10TSHRNAPRT | |
| Ethyl Acetate SCHEMBL27535761 | 0.98 | ALDH1A1 (0.58) | ALDH1A1LMNAHSD17B10TSHRNAPRT | |
| Ethyl Acetate SCHEMBL38324 | 0.98 | ALDH1A1 (0.58) | ALDH1A1LMNAHSD17B10TSHRNAPRT | |
| Ethyl Acetate SCHEMBL11434031 | 0.96 | ALDH1A1 (0.56) | ALDH1A1LMNAHSD17B10TSHRNAPRT | |
| Ethyl Acetate SCHEMBL7589907 | 0.96 | ALDH1A1 (0.56) | ALDH1A1LMNAHSD17B10TSHRNAPRT | |
| Cyclohexane SCHEMBL933417 | 0.94 | ALDH1A1 (0.54) | ALDH1A1LMNAHSD17B10TSHRNAPRT | |
| Ethyl Acetate SCHEMBL11222752 | 0.94 | ALDH1A1 (0.54) | ALDH1A1LMNAHSD17B10TSHRNAPRT |
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-4093610-A | CYCLIC DODECAPEPTIDE, MULTISTAGE | AMERICAN HOME PRODUCTS CORPORATION (US) | 1978-06-06 | — | — | US | disclosed |