Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 8/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | CFTR | P13569 | 1/20 | 0.37 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 4/20 | 0.37 |
| ▸ | GPR55 | Q9Y2T6 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TYMS | P04818 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL675984 | 0.81 | CFTR (0.48) | SMN1; SMN2NPSR1CYP2C9CYP2C19MEN1 | |
| SCHEMBL30882673 | 0.81 | CFTR (0.48) | SMN1; SMN2NPSR1CYP2C9CYP2C19MEN1 | |
| SCHEMBL9506747 | 0.77 | NPSR1 (0.58) | SMN1; SMN2NPSR1CYP2C9CYP2C19MEN1 | |
| SCHEMBL9506732 | 0.73 | SMN1; SMN2 (0.62) | SMN1; SMN2NPSR1CYP2C9CYP2C19MEN1 | |
| SCHEMBL11498604 | 0.71 | NPSR1 (0.51) | SMN1; SMN2NPSR1CYP2C9CYP2C19MEN1 | |
| SCHEMBL9788150 | 0.70 | NPSR1 (0.49) | SMN1; SMN2NPSR1CYP2C9CYP2C19MEN1 | |
| SCHEMBL28455989 | 0.68 | NPSR1 (0.63) | SMN1; SMN2NPSR1CYP2C9CYP2C19MEN1 | |
| SCHEMBL22343694 | 0.68 | CFTR (0.48) | SMN1; SMN2NPSR1CYP2C9CYP2C19MEN1 | |
| SCHEMBL12134500 | 0.66 | MAPT (0.47) | SMN1; SMN2NPSR1CYP2C9CYP2C19MEN1 | |
| Naphthalene SCHEMBL28897828 | 0.65 | NPSR1 (0.58) | SMN1; SMN2NPSR1CYP2C9CYP2C19MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5849750-A | Dynemicin analogs | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 1998-12-15 | — | — | US | disclosed |
| US-5763451-A | Dynemicin analogs | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 1998-06-09 | — | — | US | disclosed |