Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.38 |
| ▸ | ABHD6 | Q9BV23 | 4/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.31 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | EP300 | Q09472 | 1/20 | 0.30 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7462013 | 0.89 | ESR1 (0.46) | ESR1ESR2ABHD6PKMRIPK1 | |
| SCHEMBL7518323 | 0.81 | ESR1 (0.36) | ESR1ESR2ABHD6PKMHSP90AA1 | |
| SCHEMBL7526887 | 0.81 | ALDH1A1 (0.34) | ESR1ESR2HSP90AA1CA1CA2 | |
| SCHEMBL7522643 | 0.78 | ALDH1A1 (0.34) | ESR1ESR2PKM | |
| SCHEMBL7518004 | 0.76 | ESR1 (0.39) | ESR1ESR2ABHD6PKMRIPK1 | |
| SCHEMBL7521814 | 0.75 | HPGD (0.38) | ESR1ESR2 | |
| SCHEMBL7789910 | 0.73 | ESR1 (0.43) | ESR1ESR2ABHD6HSP90AA1HSP90AB1 | |
| SCHEMBL7457498 | 0.72 | ESR1 (0.39) | ESR1ESR2ABHD6PKM | |
| SCHEMBL7523701 | 0.72 | POLB (0.32) | ESR1ESR2PKM | |
| SCHEMBL31277017 | 0.71 | NOTUM (0.55) | ESR1ESR2ABHD6RIPK1HSP90AA1 |
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-6251890-B1 | TREATING OR PREVENTING BACTERIAL INFECTIONS IN MAMMALIAN PATIENTS | MERCK & CO., INC. | 2001-06-26 | — | — | US | disclosed |