Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 3/20 | 0.38 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.38 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.38 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.38 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7314659 | 0.91 | ALDH1A1 (0.43) | ALDH1A1KDM4EACHERECQLSMN1; SMN2 | |
| SCHEMBL7305780 | 0.89 | SMN1; SMN2 (0.43) | ALDH1A1KDM4EACHERECQLSMN1; SMN2 | |
| SCHEMBL7306453 | 0.87 | ALDH1A1 (0.42) | ALDH1A1KDM4EACHELMNARECQL | |
| SCHEMBL7306412 | 0.86 | SMN1; SMN2 (0.42) | ALDH1A1KDM4EACHERECQLSMN1; SMN2 | |
| SCHEMBL7309506 | 0.86 | ACHE (0.41) | ALDH1A1ACHELMNATSHRBCHE | |
| SCHEMBL7314468 | 0.85 | ACHE (0.43) | ACHEBCHECACNA1FCACNA1DCACNA1S | |
| SCHEMBL7303568 | 0.84 | ALDH1A1 (0.45) | ALDH1A1KDM4EFKBP1AACHERECQL | |
| SCHEMBL7313262 | 0.84 | ACHE (0.42) | ACHEBCHECACNA1FCACNA1DCACNA1S | |
| SCHEMBL7308047 | 0.83 | ACHE (0.42) | ACHEBCHECACNA1FCACNA1DCACNA1S | |
| SCHEMBL7305616 | 0.83 | SMN1; SMN2 (0.44) | ALDH1A1KDM4EACHERECQLSMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0711770-A1 | Antagonists of adhesion receptors | MERCK PATENT GmbH (DE) | 1996-05-15 | — | — | EP | disclosed |