Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | ERN1 | O75460 | 2/20 | 0.33 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6990485 | 1.00 | HDAC3 (0.41) | HDAC3HDAC4HDAC1HDAC6ALDH1A1 | |
| SCHEMBL6993227 | 0.83 | HDAC3 (0.38) | HDAC3HDAC4HDAC1HDAC6ALDH1A1 | |
| SCHEMBL6993223 | 0.83 | HDAC3 (0.38) | HDAC3HDAC4HDAC1HDAC6ALDH1A1 | |
| SCHEMBL6996040 | 0.81 | SERPINE1 (0.39) | HDAC3HDAC4HDAC1HDAC6ALDH1A1 | |
| SCHEMBL6996069 | 0.81 | SERPINE1 (0.39) | HDAC3HDAC4HDAC1HDAC6ALDH1A1 | |
| SCHEMBL6996037 | 0.81 | SERPINE1 (0.39) | HDAC3HDAC4HDAC1HDAC6ALDH1A1 | |
| SCHEMBL6999081 | 0.80 | HDAC3 (0.35) | HDAC3HDAC4HDAC1HDAC6ALDH1A1 | |
| SCHEMBL6999078 | 0.80 | HDAC3 (0.35) | HDAC3HDAC4HDAC1HDAC6ALDH1A1 | |
| SCHEMBL6989842 | 0.80 | HDAC3 (0.47) | HDAC3HDAC4HDAC1HDAC6ALDH1A1 | |
| SCHEMBL2653708 | 0.80 | HDAC3 (0.47) | HDAC3HDAC4HDAC1HDAC6ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0846111-B1 | SYNTHESES OF OPTICALLY PURE COMPOUNDS USEFUL AS GARFT INHIBITORS AND THEIR INTERMEDIATES | AGOURON PHARMA (US) | 2003-08-27 | — | — | EP | disclosed |
| US-5981748-A | Synthesis of optically pure compounds useful as GARFT inhibitors and their intermediates | AGOURON PHARMACEUTICALS, INC. (US) | 1999-11-09 | — | — | US | disclosed |
| US-5831100-A | Syntheses of optically pure compounds useful as GARFT inhibitors and their intermediates | AGOURON PHARMACEUTICALS, INC. (US) | 1998-11-03 | — | — | US | disclosed |