Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.38 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.38 |
| ▸ | GRM8 | O00222 | 1/20 | 0.38 |
| ▸ | GRM6 | O15303 | 1/20 | 0.38 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP7 | P09237 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15940043 | 0.74 | TDP1 (0.46) | ALDH1A1POLBRAB9ANPC1TP53 | |
| SCHEMBL5131645 | 0.74 | AKR1C3 (0.41) | ALDH1A1NPC1GRM8GRM6GRM4 | |
| SCHEMBL426201 | 0.70 | HSD17B10 (0.44) | ALDH1A1POLBMAPTCYP19A1TSHR | |
| SCHEMBL5131629 | 0.68 | ALDH1A1 (0.43) | ALDH1A1NPC1GRIK1GRIK2GRM8 | |
| SCHEMBL28527966 | 0.68 | NPC1 (0.45) | ALDH1A1RAB9ANPC1TP53SMN1; SMN2 | |
| SCHEMBL1648359 | 0.67 | TDP1 (0.48) | ALDH1A1POLBTDP1TSHRMAPK1 | |
| SCHEMBL9070342 | 0.67 | CYP1A2 (0.61) | ALDH1A1POLBRAB9ANPC1TDP1 | |
| SCHEMBL6509357 | 0.67 | ALDH1A1 (0.47) | ALDH1A1POLBRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL9160024 | 0.66 | HSD11B1 (0.44) | ALDH1A1POLBGRIK1GRIK2GRM8 | |
| Acetic Acid SCHEMBL27904062 | 0.65 | MAPK1 (0.68) | ALDH1A1TDP1TSHRMAPK1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1942949-A1 | METHOD FOR THE SYNTHESIS OF PENTAPENDANT ENANTIOMER-PURE CHELATORS AND PROCESS FOR THERAPEUTICALLY ACTIVE BIO-CONJUGATES PREPARATION BY A COVALENT BINDING OF THEREOF | Therapharm GmbH (CH) | 2008-07-16 | — | — | EP | disclosed |
| WO-2007028639-A1 | METHOD FOR THE SYNTHESIS OF PENTAPENDANT ENANTIOMER-PURE CHELATORS AND PROCESS FOR THERAPEUTICALLY ACTIVE BIO-CONJUGATES PREPARATION BY A COVALENT BINDING OF THEREOF | THERAPHARM GMBH (CH) | 2007-03-15 | — | — | WO | disclosed |