Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | ESR1 | P03372 | 5/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.52 |
| ▸ | PGR | P06401 | 2/20 | 0.52 |
| ▸ | PKM | P14618 | 2/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.52 |
| ▸ | TNKS | O95271 | 1/20 | 0.52 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.52 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.52 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.52 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL4667605 | 1.00 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2KDM4EPTGS2NPSR1 | |
| SCHEMBL3614748 | 0.88 | KDM4E (0.55) | ALDH1A1SMN1; SMN2KDM4EPTGS2NPSR1 | |
| SCHEMBL3614745 | 0.88 | KDM4E (0.55) | ALDH1A1SMN1; SMN2KDM4EPTGS2NPSR1 | |
| SCHEMBL7551980 | 0.85 | NPSR1 (0.56) | ALDH1A1SMN1; SMN2KDM4EPTGS2NPSR1 | |
| SCHEMBL10414503 | 0.84 | NPSR1 (0.54) | ALDH1A1SMN1; SMN2KDM4EPTGS2NPSR1 | |
| SCHEMBL10414504 | 0.84 | NPSR1 (0.54) | ALDH1A1SMN1; SMN2KDM4EPTGS2NPSR1 | |
| SCHEMBL4665668 | 0.82 | ESR1 (0.55) | ALDH1A1SMN1; SMN2KDM4EPTGS2NPSR1 | |
| SCHEMBL4895017 | 0.82 | TTR (0.57) | ALDH1A1SMN1; SMN2KDM4EPTGS2PKM | |
| SCHEMBL4665675 | 0.82 | ESR1 (0.55) | ALDH1A1SMN1; SMN2KDM4EPTGS2NPSR1 | |
| SCHEMBL4895007 | 0.82 | TTR (0.57) | ALDH1A1SMN1; SMN2KDM4EPTGS2PKM |
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-1951216-A2 | CHEMICAL COMPOUNDS | SmithKline Beecham Corporation (US) | 2008-08-06 | — | — | EP | disclosed |
| WO-2007062145-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-05-31 | — | — | WO | disclosed |