Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.37 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.37 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.37 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | XIAP | P98170 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8468700 | 0.77 | ALDH1A1 (0.43) | ALDH1A1TSHRSMN1; SMN2KDM4EPOLB | |
| SCHEMBL6007674 | 0.75 | HDAC8 (0.62) | ALDH1A1TSHRSMN1; SMN2HDAC6HDAC2 | |
| SCHEMBL7057266 | 0.75 | HDAC8 (0.62) | ALDH1A1TSHRSMN1; SMN2HDAC6HDAC2 | |
| SCHEMBL27922960 | 0.69 | MTNR1A (0.51) | MTNR1AMTNR1B | |
| SCHEMBL7338319 | 0.68 | PARP1 (0.44) | ALDH1A1TSHRSMN1; SMN2MTNR1AMTNR1B | |
| SCHEMBL6696971 | 0.68 | MTNR1A (0.45) | ALDH1A1TSHRSMN1; SMN2MTNR1APOLB | |
| SCHEMBL7555403 | 0.68 | DRD3 (0.46) | ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL27661039 | 0.67 | MTNR1A (0.49) | ALDH1A1MTNR1AMTNR1B | |
| SCHEMBL7079518 | 0.66 | TSHR (0.36) | ALDH1A1TSHRSMN1; SMN2KDM4EPOLB | |
| Trifluoroacetic Acid SCHEMBL7403792 | 0.66 | ALDH1A1 (0.36) | ALDH1A1TSHRSMN1; SMN2MTNR1AHDAC6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0767792-A4 | VITRONECTIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2002-11-20 | — | — | EP | claimed |
| EP-0767792-A1 | VITRONECTIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1997-04-16 | — | — | EP | claimed |
| WO-1996000730-A1 | VITRONECTIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1996-01-11 | — | — | WO | claimed |