Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1H | O95180 | 5/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ACKR3 | P25106 | 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 | |
|---|---|---|---|---|
| SCHEMBL7130844 | 0.92 | ALDH1A1 (0.53) | CACNA1HSIGMAR1ALDH1A1TDP1SMN1; SMN2 | |
| SCHEMBL25917727 | 0.88 | SIGMAR1 (0.47) | CACNA1HSIGMAR1ALDH1A1TDP1SMN1; SMN2 | |
| SCHEMBL6230689 | 0.87 | SIGMAR1 (0.46) | CACNA1HSIGMAR1ALDH1A1TDP1SMN1; SMN2 | |
| SCHEMBL8183645 | 0.86 | SIGMAR1 (0.43) | CACNA1HSIGMAR1ALDH1A1TDP1SMN1; SMN2 | |
| SCHEMBL15802919 | 0.85 | ALDH1A1 (0.46) | CACNA1HSIGMAR1ALDH1A1TDP1SMN1; SMN2 | |
| SCHEMBL7136069 | 0.85 | ALDH1A1 (0.48) | CACNA1HSIGMAR1ALDH1A1TDP1SMN1; SMN2 | |
| SCHEMBL31399675 | 0.85 | SIGMAR1 (0.44) | CACNA1HSIGMAR1ALDH1A1TDP1SMN1; SMN2 | |
| SCHEMBL14289006 | 0.84 | SIGMAR1 (0.42) | CACNA1HSIGMAR1ALDH1A1TDP1SMN1; SMN2 | |
| SCHEMBL15766907 | 0.84 | AKT1 (0.44) | CACNA1HSIGMAR1ALDH1A1DRD2TDP1 | |
| SCHEMBL15362895 | 0.84 | AKT1 (0.44) | CACNA1HSIGMAR1ALDH1A1DRD2TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5972307-A | ADMINISTERING TO HUMAN OR ANIMAL BODY AN EFFECTIVE AMOUNT OF A DIAGNOSTIC AGENT COMPRISES A METAL CHELATE OF A COMPOUND HAVING TWO MACROCYCLIC CHELANT GROUPS LINKED BY A BRIDGE CONTAINING ESTER OR AMIDE BOND | NYCOMED SALUTAR, INC. (US) | 1999-10-26 | — | — | US | disclosed |
| US-5650133-A | CHELATING AGENTS USEFUL IN DIAGNOSTIC AND THERAPEUTIC COMPOSITIONS | NYCOMED SALUTAR (US) | 1997-07-22 | — | — | US | disclosed |
| WO-1995009848-A2 | POLYAZACYCLOALKANES AS DICHELANTS | NYCOMED SALUTAR, INC. (US) | 1995-04-13 | — | — | WO | disclosed |