Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.53 |
| ▸ | RAB9A | P51151 | 5/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | ESRRG | P62508 | 1/20 | 0.51 |
| ▸ | NAMPT | P43490 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6454906 | 0.88 | NPC1 (0.58) | NPC1RAB9ASMN1; SMN2ALDH1A1NAMPT | |
| SCHEMBL5564448 | 0.86 | NPC1 (0.56) | NPC1RAB9ASMN1; SMN2ALDH1A1NAMPT | |
| SCHEMBL6455155 | 0.86 | HDAC3 (0.65) | NPC1RAB9ASMN1; SMN2ALDH1A1NAMPT | |
| SCHEMBL1587804 | 0.84 | RAB9A (0.53) | NPC1RAB9ASMN1; SMN2ALDH1A1NAMPT | |
| SCHEMBL5561980 | 0.82 | RAB9A (0.60) | NPC1RAB9ASMN1; SMN2ALDH1A1NAMPT | |
| SCHEMBL5559857 | 0.80 | HDAC1 (0.52) | NPC1RAB9ASMN1; SMN2ALDH1A1NAMPT | |
| SCHEMBL5566000 | 0.79 | SMN1; SMN2 (0.50) | NPC1RAB9ASMN1; SMN2ALDH1A1NAMPT | |
| SCHEMBL14905945 | 0.79 | MRGPRX4 (0.43) | NPC1RAB9AALDH1A1LMNAKDM4E | |
| SCHEMBL5560393 | 0.78 | EGFR (0.51) | NPC1RAB9ASMN1; SMN2ALDH1A1NAMPT | |
| SCHEMBL2001834 | 0.78 | NPSR1 (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-1758881-A1 | THIOPHENE HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS HDAC INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-03-07 | — | — | EP | disclosed |
| WO-2005121120-A1 | THIOPHENE HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS HDAC INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-12-22 | — | — | WO | disclosed |