Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.61 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | KDM1A | O60341 | 3/20 | 0.52 |
| ▸ | CXCR4 | P61073 | 6/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4562865 | 0.88 | HDAC1 (0.69) | HDAC1HDAC6KDM4EALDH1A1CXCR4 | |
| SCHEMBL4887341 | 0.88 | HDAC1 (0.69) | HDAC1HDAC6KDM4EALDH1A1CXCR4 | |
| SCHEMBL13909820 | 0.88 | HDAC1 (0.76) | HDAC1HDAC6KDM4EALDH1A1CXCR4 | |
| SCHEMBL30379489 | 0.82 | HDAC1 (0.61) | HDAC1HDAC6CXCR4CYP2D6 | |
| SCHEMBL21055028 | 0.82 | HDAC1 (0.68) | HDAC1HDAC6KDM4EALDH1A1CXCR4 | |
| SCHEMBL4065807 | 0.82 | HDAC1 (0.68) | HDAC1HDAC6KDM4EALDH1A1CXCR4 | |
| SCHEMBL5575215 | 0.80 | HDAC1 (0.65) | HDAC1HDAC6KDM4EALDH1A1CXCR4 | |
| SCHEMBL14037709 | 0.79 | HDAC1 (0.64) | HDAC1HDAC6KDM4EALDH1A1KDM1A | |
| SCHEMBL31380423 | 0.79 | HDAC1 (0.64) | HDAC1HDAC6KDM4EALDH1A1CXCR4 | |
| SCHEMBL4070374 | 0.79 | HDAC1 (0.64) | HDAC1HDAC6KDM4EALDH1A1KDM1A |
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-1793825-A2 | CHEMCIAL COMPOUNDS | SmithKline Beecham Corporation (US) | 2007-06-13 | — | — | EP | disclosed |
| WO-2006036816-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-04-06 | — | — | WO | disclosed |