Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 2/20 | 0.36 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.32 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.32 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 4/20 | 0.32 |
| ▸ | FAAH | O00519 | 3/20 | 0.32 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.32 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7397950 | 0.66 | ALDH1A1 (0.52) | ALDH1A1TSHRSMN1; SMN2KDM4EHDAC6 | |
| SCHEMBL7480674 | 0.65 | ACHE (0.41) | ALDH1A1TSHRSMN1; SMN2P2RX4HSD17B10 | |
| SCHEMBL27528261 | 0.65 | CACNA1G (0.37) | ALDH1A1P2RX4HSD17B10MTNR1ACACNA1G | |
| Phenyl Propionic Acid SCHEMBL27428011 | 0.63 | KEAP1 (0.79) | ALDH1A1SMN1; SMN2HDAC6KEAP1CES1 | |
| Trifluoroacetic Acid SCHEMBL20262609 | 0.63 | FFAR1 (0.59) | ALDH1A1TSHRSMN1; SMN2HDAC6KEAP1 | |
| Phenyl Propionic Acid SCHEMBL27403516 | 0.62 | KEAP1 (0.76) | ALDH1A1SMN1; SMN2HDAC6KEAP1CES1 | |
| Trifluoroacetic Acid SCHEMBL14352289 | 0.60 | CES1 (0.37) | ALDH1A1HDAC6HPGDCES1 | |
| Phenylethyl Alcohol SCHEMBL8605276 | 0.60 | TDP1 (0.67) | ALDH1A1TSHRSMN1; SMN2HDAC6KEAP1 | |
| 1-Phenethylpiperidine SCHEMBL14734798 | 0.60 | SIGMAR1 (0.72) | ALDH1A1SMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL28628498 | 0.59 | KEAP1 (0.53) | ALDH1A1SMN1; SMN2KDM4EHDAC6KEAP1 |
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 |