Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | F2 | P00734 | 2/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.41 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.41 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9982800 | 0.84 | ALDH1A1 (0.49) | ALDH1A1GAAF2PRSS1PRSS2 | |
| Ammonia Solution, Strong SCHEMBL2836007 | 0.82 | ALDH1A1 (0.47) | ALDH1A1GAAF2PRSS1PRSS2 | |
| SCHEMBL2227741 | 0.82 | ALDH1A1 (0.47) | ALDH1A1GAAF2PRSS1PRSS2 | |
| SCHEMBL361916 | 0.82 | ALDH1A1 (0.47) | ALDH1A1GAAF2PRSS1PRSS2 | |
| SCHEMBL11285900 | 0.81 | TDP1 (0.42) | ALDH1A1KMT2ACA1CA2MMP1 | |
| SCHEMBL3365461 | 0.79 | ALDH1A1 (0.52) | ALDH1A1GAAF2PRSS1PRSS2 | |
| SCHEMBL28887671 | 0.79 | ALDH1A1 (0.45) | ALDH1A1GAAF2PRSS1PRSS2 | |
| SCHEMBL10637725 | 0.79 | ALDH1A1 (0.60) | ALDH1A1GAAF2PRSS1PRSS2 | |
| SCHEMBL5724458 | 0.78 | ALDH1A1 (0.47) | ALDH1A1GAAF2PRSS1PRSS2 | |
| SCHEMBL443434 | 0.77 | ALDH1A1 (0.53) | ALDH1A1GAAF2PRSS1PRSS2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4478759-A | Preparation of aminoitriles | BASF AKTIENGESELLSCHAFT (DE) | 1984-10-23 | — | — | US | disclosed |
| US-4008271-A | Process for preparing a mixed anhydride of a sulfonic acid and a carboxylic acid | ETHYL CORPORATION (US) | 1977-02-15 | — | — | US | disclosed |
| US-3935216-A | Preparation of toluoyl-5-pyrryl-2-acetonitrile | ETHYL CORPORATION (US) | 1976-01-27 | — | — | US | disclosed |