Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL31088201 | 0.84 | MEN1 (0.45) | ALDH1A1MEN1KMT2APOLBFNTA | |
| SCHEMBL7272751 | 0.83 | ALDH1A1 (0.56) | ALDH1A1MAPTNPSR1MEN1KMT2A | |
| SCHEMBL7265100 | 0.83 | ALDH1A1 (0.56) | ALDH1A1MAPTNPSR1MEN1KMT2A | |
| SCHEMBL30660068 | 0.81 | KDM4E (0.57) | ALDH1A1KDM4EMAPTRAB9ANPSR1 | |
| SCHEMBL29132823 | 0.81 | KDM4E (0.57) | ALDH1A1KDM4EMAPTRAB9ANPSR1 | |
| SCHEMBL29132822 | 0.81 | KDM4E (0.57) | ALDH1A1KDM4EMAPTRAB9ANPSR1 | |
| SCHEMBL2427953 | 0.81 | GAA (0.52) | ALDH1A1MEN1KMT2AL3MBTL1GAA | |
| SCHEMBL29631981 | 0.81 | KDM4E (0.42) | KDM4EMAPTCA12CA9NFKB1 | |
| Hydrochloric Acid SCHEMBL7855163 | 0.78 | MMP2 (0.43) | ALDH1A1KDM4EMAPTRAB9ANPSR1 | |
| SCHEMBL7605696 | 0.78 | MMP2 (0.49) | ALDH1A1KDM4EMAPTRAB9ANPSR1 |
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-4301151-A | OLIGOPEPTIDES CONTAINING A 1,3-THIAZIN-4-ONE RING OR A N-HETERO-4-ONE RINGS | MERCK & CO., INC. (US) | 1981-11-17 | — | — | US | disclosed |
| US-4254107-A | Long-lasting agonists of enkephalin | MERCK & CO., INC. (US) | 1981-03-03 | — | — | US | disclosed |