Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.58 |
| ▸ | RAB9A | P51151 | 7/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | NAMPT | P43490 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 5/20 | 0.51 |
| ▸ | POLB | P06746 | 3/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5557112 | 0.88 | NPC1 (0.53) | NPC1RAB9ASMN1; SMN2ALDH1A1NAMPT | |
| SCHEMBL5564448 | 0.88 | NPC1 (0.56) | NPC1RAB9ASMN1; SMN2ALDH1A1NAMPT | |
| SCHEMBL6455155 | 0.87 | HDAC3 (0.65) | NPC1RAB9ASMN1; SMN2ALDH1A1NAMPT | |
| SCHEMBL1587804 | 0.85 | RAB9A (0.53) | NPC1RAB9ASMN1; SMN2ALDH1A1NAMPT | |
| SCHEMBL5561980 | 0.83 | RAB9A (0.60) | NPC1RAB9ASMN1; SMN2ALDH1A1NAMPT | |
| SCHEMBL5559857 | 0.81 | HDAC1 (0.52) | NPC1RAB9ASMN1; SMN2ALDH1A1NAMPT | |
| SCHEMBL5560544 | 0.81 | MAPT (0.48) | NPC1RAB9ASMN1; SMN2ALDH1A1NAMPT | |
| SCHEMBL5566000 | 0.80 | SMN1; SMN2 (0.50) | NPC1RAB9ASMN1; SMN2ALDH1A1NAMPT | |
| SCHEMBL5560393 | 0.80 | EGFR (0.51) | NPC1RAB9ASMN1; SMN2ALDH1A1NAMPT | |
| SCHEMBL1587972 | 0.79 | HPGD (0.50) | NPC1RAB9ASMN1; SMN2ALDH1A1NAMPT |
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-1575933-A1 | ENANTIOMERS OF THIOPHENE HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS HDAC INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-09-21 | — | — | EP | disclosed |
| WO-2004054999-A1 | ENANTIOMERS OF THIOPHENE HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS HDAC INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-07-01 | — | — | WO | disclosed |