Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.31 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.31 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.31 |
| ▸ | CACNA1C | Q13936 | 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 | |
|---|---|---|---|---|
| SCHEMBL7127624 | 0.79 | SIGMAR1 (0.45) | HSD17B10ALDH1A1KDM4EMDM2DRD4 | |
| SCHEMBL14569709 | 0.79 | HSD17B10 (0.44) | HSD17B10ALDH1A1SLC6A9S1PR1 | |
| SCHEMBL20457594 | 0.79 | ALDH1A1 (0.58) | HSD17B10ALDH1A1KDM4EMDM2DRD4 | |
| SCHEMBL22954477 | 0.77 | SIGMAR1 (0.41) | HSD17B10ALDH1A1KDM4EMDM2DRD4 | |
| SCHEMBL31679390 | 0.77 | HSD17B10 (0.45) | HSD17B10ALDH1A1KDM4EMDM2DRD4 | |
| SCHEMBL31679340 | 0.77 | HSD17B10 (0.45) | HSD17B10ALDH1A1KDM4EMDM2DRD4 | |
| SCHEMBL20187636 | 0.74 | HSD17B10 (0.42) | HSD17B10ALDH1A1KDM4EMDM2DRD4 | |
| SCHEMBL22954478 | 0.74 | SIGMAR1 (0.41) | HSD17B10ALDH1A1KDM4EMDM2DRD4 | |
| Tetraxetan SCHEMBL5370171 | 0.73 | HSD17B10 (0.58) | HSD17B10ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL6848102 | 0.73 | HSD17B10 (0.64) | HSD17B10ALDH1A1KDM4ESLC6A9S1PR1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-0722442-A1 | POLYAZACYCLOALKANES AS DICHELANTS | NYCOMED SALUTAR, INC. (US) | 1996-07-24 | — | — | EP | disclosed |
| WO-1995009848-A2 | POLYAZACYCLOALKANES AS DICHELANTS | NYCOMED SALUTAR, INC. (US) | 1995-04-13 | — | — | WO | disclosed |