Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | PGK1 | P00558 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11069418 | 0.90 | CA1 (0.50) | CA1CA2CA9HDAC1HDAC3 | |
| SCHEMBL9137511 | 0.90 | CA1 (0.50) | CA1CA2CA9HDAC1HDAC3 | |
| SCHEMBL8777806 | 0.87 | CA1 (0.44) | CA1CA2CA9HDAC1HDAC3 | |
| Butanedione SCHEMBL28088921 | 0.87 | CA1 (0.47) | CA1CA2CA9HDAC1HDAC3 | |
| SCHEMBL6811137 | 0.87 | POLB (0.49) | CA1CA2CA9HDAC1HDAC3 | |
| SCHEMBL6815913 | 0.87 | CA1 (0.44) | CA1CA2CA9HDAC1HDAC3 | |
| SCHEMBL6202482 | 0.85 | CA1 (0.46) | CA1CA2CA9HDAC1HDAC3 | |
| SCHEMBL11640102 | 0.85 | CA1 (0.47) | CA1CA2CA9HDAC1HDAC3 | |
| SCHEMBL29904715 | 0.84 | HDAC1 (0.49) | CA1CA2CA9HDAC1HDAC3 | |
| SCHEMBL1143315 | 0.84 | HDAC1 (0.49) | CA1CA2CA9HDAC1HDAC3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5852017-A | 2,3(1H,4H)-quinoxalinediones | BASF AKTIENGESELLSCHAFT (DE) | 1998-12-22 | — | — | US | disclosed |
| EP-0572852-B1 | Quinoxalin-2,3(1H,4H)-diones used as medicine | BASF AG (DE) | 1998-10-21 | — | — | EP | disclosed |
| US-5714489-A | 2,3(1H,4H)quinoxalinedione | BASF AKTIENGESELLSCHAFT (DE) | 1998-02-03 | — | — | US | disclosed |
| EP-0572852-A1 | Quinoxalin-2,3(1H,4H)-diones used as medicine | BASF Aktiengesellschaft (DE) | 1993-12-08 | — | — | EP | disclosed |