Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.49 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.46 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.46 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.46 |
| ▸ | CYP2A7 | P20853 | 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 | |
|---|---|---|---|---|
| SCHEMBL31172738 | 0.71 | MEN1 (0.58) | ALDH1A1CA2CA12CA1CA7 | |
| SCHEMBL25705273 | 0.71 | MEN1 (0.54) | ALDH1A1CA2CA12CA1CA7 | |
| SCHEMBL3692141 | 0.71 | MEN1 (0.58) | ALDH1A1CA2CA12CA1CA7 | |
| SCHEMBL23268487 | 0.71 | MEN1 (0.58) | ALDH1A1CA2CA12CA1CA7 | |
| SCHEMBL30360992 | 0.71 | CYP3A4 (0.59) | ALDH1A1CA2CA12CA1CA7 | |
| SCHEMBL23268494 | 0.71 | MEN1 (0.54) | ALDH1A1CA2CA12CA1CA7 | |
| Ammonia Solution, Strong SCHEMBL266622 | 0.70 | MEN1 (0.50) | ALDH1A1CA2CA12CA1CA7 | |
| SCHEMBL10841566 | 0.69 | ALDH1A1 (0.55) | ALDH1A1CA2CA12CA1CA7 | |
| SCHEMBL28313771 | 0.69 | CYP3A4 (0.46) | ALDH1A1CA2CA12CA1CA7 | |
| SCHEMBL28313772 | 0.69 | NR3C1 (0.48) | ALDH1A1CA2CA12CA1CA7 |
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-5364851-A | Internal coupling/cyclization to form helical structures | INTERNATIONAL SYNTHECON, LLC (US) | 1994-11-15 | — | — | US | disclosed |