Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 2/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | JAK1 | P23458 | 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 | |
|---|---|---|---|---|
| SCHEMBL6990186 | 1.00 | HDAC3 (0.36) | HDAC3HDAC4HDAC1HDAC6ALDH1A1 | |
| SCHEMBL6993503 | 0.83 | HDAC3 (0.33) | HDAC3HDAC4HDAC1HDAC6ALDH1A1 | |
| SCHEMBL6993500 | 0.83 | HDAC3 (0.33) | HDAC3HDAC4HDAC1HDAC6ALDH1A1 | |
| SCHEMBL6990850 | 0.83 | HDAC3 (0.42) | HDAC3HDAC4HDAC1HDAC6ALDH1A1 | |
| SCHEMBL6990853 | 0.83 | HDAC3 (0.42) | HDAC3HDAC4HDAC1HDAC6ALDH1A1 | |
| SCHEMBL6996548 | 0.81 | HDAC3 (0.40) | HDAC3HDAC4HDAC1HDAC6ALDH1A1 | |
| SCHEMBL8362199 | 0.81 | HDAC3 (0.40) | HDAC3HDAC4HDAC1HDAC6ALDH1A1 | |
| SCHEMBL7000933 | 0.75 | SERPINE1 (0.38) | HDAC3HDAC4HDAC1HDAC6ALDH1A1 | |
| SCHEMBL6170912 | 0.75 | CYP4F2 (0.52) | ALDH1A1KDM4EMAPTNPC1RAB9A | |
| SCHEMBL8685062 | 0.75 | ALDH1A1 (0.36) | ALDH1A1KDM4EHPGDMAPTGAA |
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 |
|---|---|---|---|---|---|---|---|
| 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 |