Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CDC7 | O00311 | 1/20 | 0.34 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | NMT2 | O60551 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | NMT1 | P30419 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6990850 | 1.00 | HDAC3 (0.42) | HDAC3HDAC4HDAC1HDAC6ALDH1A1 | |
| SCHEMBL6990188 | 0.83 | HDAC3 (0.36) | HDAC3HDAC4HDAC1HDAC6ALDH1A1 | |
| SCHEMBL6990186 | 0.83 | HDAC3 (0.36) | HDAC3HDAC4HDAC1HDAC6ALDH1A1 | |
| SCHEMBL6993227 | 0.83 | HDAC3 (0.38) | HDAC3HDAC4HDAC1HDAC6ALDH1A1 | |
| SCHEMBL6993223 | 0.83 | HDAC3 (0.38) | HDAC3HDAC4HDAC1HDAC6ALDH1A1 | |
| SCHEMBL29051983 | 0.81 | HDAC3 (0.46) | HDAC3HDAC4HDAC1HDAC6ALDH1A1 | |
| SCHEMBL6989842 | 0.80 | HDAC3 (0.47) | HDAC3HDAC4HDAC1HDAC6ALDH1A1 | |
| SCHEMBL8685062 | 0.78 | ALDH1A1 (0.36) | ALDH1A1SMN1; SMN2MAPTGAANMT2 | |
| SCHEMBL6989769 | 0.76 | HDAC3 (0.41) | HDAC3HDAC4HDAC1HDAC6ALDH1A1 | |
| SCHEMBL6989772 | 0.76 | HDAC3 (0.41) | 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 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 |