Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 6/20 | 0.43 |
| ▸ | DRD4 | P21917 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL24495626 | 0.81 | ALDH1A1 (0.55) | ALDH1A1KDM4EPOLBDRD2DRD4 | |
| SCHEMBL5793723 | 0.78 | DRD2 (0.65) | ALDH1A1KDM4EDRD2DRD4KMT2A | |
| SCHEMBL27147241 | 0.78 | PLA2G10 (0.41) | CHRM2CHRM4CHRM1CHRM3ALDH1A1 | |
| SCHEMBL3799622 | 0.78 | PLA2G10 (0.41) | CHRM2CHRM4CHRM1CHRM3ALDH1A1 | |
| SCHEMBL3470166 | 0.78 | PLA2G10 (0.41) | CHRM2CHRM4CHRM1CHRM3ALDH1A1 | |
| SCHEMBL7132319 | 0.77 | ALDH1A1 (0.55) | ALDH1A1KDM4EPOLBPKMDRD2 | |
| SCHEMBL10063608 | 0.77 | ALDH1A1 (0.57) | ALDH1A1KMT2AMEN1MAPT | |
| SCHEMBL20957025 | 0.76 | CHRM2 (0.60) | CHRM2CHRM4CHRM1CHRM3ALDH1A1 | |
| SCHEMBL7132345 | 0.76 | GAA (0.50) | CHRM2CHRM4CHRM1CHRM3ALDH1A1 | |
| SCHEMBL12004770 | 0.75 | ALDH1A1 (0.49) | CHRM2CHRM4CHRM1CHRM3ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0722442-B1 | POLYAZACYCLOALKANES AS DICHELANTS | NYCOMED SALUTAR INC (US) | 2003-01-15 | — | — | EP | disclosed |
| 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 |