Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | RECQL | P46063 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | CA12 | O43570 | 3/20 | 0.33 |
| ▸ | CA6 | P23280 | 3/20 | 0.33 |
| ▸ | CA7 | P43166 | 3/20 | 0.33 |
| ▸ | CA9 | Q16790 | 3/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.32 |
| ▸ | CA2 | P00918 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CA3 | P07451 | 2/20 | 0.32 |
| ▸ | CA4 | P22748 | 2/20 | 0.32 |
| ▸ | CA5A | P35218 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5933120 | 0.88 | KDM4E (0.47) | KDM4ERECQLTSHRALDH1A1MEN1 | |
| SCHEMBL10962985 | 0.88 | KDM4E (0.47) | KDM4ERECQLTSHRALDH1A1MEN1 | |
| SCHEMBL9437143 | 0.88 | CA12 (0.42) | KDM4ERECQLTSHRALDH1A1CA12 | |
| SCHEMBL7262297 | 0.88 | CA12 (0.42) | KDM4ERECQLTSHRALDH1A1CA12 | |
| SCHEMBL13520206 | 0.86 | TSHR (0.38) | KDM4ERECQLTSHRALDH1A1CA12 | |
| SCHEMBL13064013 | 0.86 | — | — | |
| SCHEMBL24181348 | 0.85 | ALDH1A1 (0.43) | TSHRALDH1A1THRB | |
| SCHEMBL16329701 | 0.85 | ALDH1A1 (0.43) | TSHRALDH1A1THRB | |
| SCHEMBL19977982 | 0.85 | ALDH1A1 (0.43) | TSHRALDH1A1THRB | |
| SCHEMBL22806766 | 0.85 | ALDH1A1 (0.43) | TSHRALDH1A1THRB |
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-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 |