Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | CXCR4 | P61073 | 8/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | CCR2 | P41597 | 1/20 | 0.34 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | HRH2 | P25021 | 2/20 | 0.33 |
| ▸ | HRH1 | P35367 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9168067 | 0.98 | POLB (0.58) | POLBSMN1; SMN2CXCR4ALDH1A1PKM | |
| SCHEMBL9172023 | 0.95 | POLB (0.60) | POLBSMN1; SMN2CXCR4ALDH1A1PKM | |
| SCHEMBL9167025 | 0.95 | POLB (0.60) | POLBSMN1; SMN2CXCR4ALDH1A1PKM | |
| SCHEMBL1393841 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL960566 | 0.93 | SMN1; SMN2 (0.58) | POLBSMN1; SMN2CXCR4ALDH1A1PKM | |
| Hydrochloric Acid SCHEMBL2009370 | 0.93 | SMN1; SMN2 (0.58) | POLBSMN1; SMN2CXCR4ALDH1A1PKM | |
| SCHEMBL6537798 | 0.86 | POLB (0.52) | POLBSMN1; SMN2CXCR4HRH3MEN1 | |
| SCHEMBL7137154 | 0.82 | ALDH1A1 (0.50) | POLBSMN1; SMN2ALDH1A1PKMCHRM2 | |
| SCHEMBL2576487 | 0.82 | ALDH1A1 (0.50) | POLBSMN1; SMN2ALDH1A1PKMCHRM2 | |
| SCHEMBL11701515 | 0.82 | — | — |
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-5428155-A | PH controlled sulfomethylation of 1,4,7,10-tetraazacyclododecane; displacement with sodium cyanide; hydrolysis to symmetrical acetic acid side groups | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1995-06-27 | — | — | US | claimed |
| WO-1993012097-A1 | SYNTHESIS OF POLYAZAMACROCYCLES WITH MORE THAN ONE TYPE OF SIDE-CHAIN CHELATING GROUPS | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1993-06-24 | — | — | WO | claimed |