Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 4/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1373203 | 0.98 | HSD11B1 (0.46) | HSD11B1HSD17B10TDP1ALDH1A1KDM4E | |
| SCHEMBL8562841 | 0.89 | HSD11B1 (0.40) | HSD11B1HSD17B10TDP1ALDH1A1KDM4E | |
| SCHEMBL12226462 | 0.84 | HSD11B1 (0.47) | HSD11B1TDP1ALDH1A1KDM4EKCNA5 | |
| SCHEMBL18379382 | 0.83 | TDP1 (0.47) | HSD11B1HSD17B10TDP1ALDH1A1KDM4E | |
| SCHEMBL2476175 | 0.82 | KDM4E (0.47) | HSD11B1TDP1ALDH1A1KDM4EMEN1 | |
| SCHEMBL14557468 | 0.82 | HSD17B10 (0.45) | HSD17B10KCNA5SLC6A4SLC6A3 | |
| SCHEMBL23646017 | 0.80 | HSD17B10 (0.62) | HSD17B10ALDH1A1KDM4E | |
| SCHEMBL8742080 | 0.80 | HSD17B10 (0.62) | HSD17B10ALDH1A1KDM4E | |
| SCHEMBL6057032 | 0.80 | — | — | |
| SCHEMBL3052320 | 0.80 | HSD11B1 (0.55) | HSD11B1TDP1KDM4EKCNA5KMT2A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0700392-B1 | USE OF MACROCYCLIC METAL COMPLEXES AS TEMPERATURE PROBES | SCHERING AG (DE) | 1998-12-09 | — | — | EP | claimed |
| US-5747000-A | 1,4-7-TRIS-(CARBOXYMETHYL)-1,4,7,10-TETRAAZACYCLODODECANE DERIVATIVES; DETERMINING CHEMICAL SHIFT OF SIGNALS IN NUCLEAR MAGNETIC RESONANCE | SCHERING AKTIENGESELLSCHAFT (DE) | 1998-05-05 | — | — | US | claimed |
| EP-0700392-A1 | USE OF MACROCYCLIC METAL COMPLEXES AS TEMPERATURE PROBES | SCHERING AKTIENGESELLSCHAFT (DE) | 1996-03-13 | — | — | EP | claimed |
| WO-1994027977-A1 | USE OF MACROCYCLIC METAL COMPLEXES AS TEMPERATURE PROBES | SCHERING AKTIENGESELLSCHAFT (DE) | 1994-12-08 | — | — | WO | claimed |
| EP-0700392-B1 | USE OF MACROCYCLIC METAL COMPLEXES AS TEMPERATURE PROBES | SCHERING AG (DE) | 1998-12-09 | — | — | EP | disclosed |
| US-5747000-A | 1,4-7-TRIS-(CARBOXYMETHYL)-1,4,7,10-TETRAAZACYCLODODECANE DERIVATIVES; DETERMINING CHEMICAL SHIFT OF SIGNALS IN NUCLEAR MAGNETIC RESONANCE | SCHERING AKTIENGESELLSCHAFT (DE) | 1998-05-05 | — | — | US | disclosed |
| EP-0700392-A1 | USE OF MACROCYCLIC METAL COMPLEXES AS TEMPERATURE PROBES | SCHERING AKTIENGESELLSCHAFT (DE) | 1996-03-13 | — | — | EP | disclosed |
| WO-1994027977-A1 | USE OF MACROCYCLIC METAL COMPLEXES AS TEMPERATURE PROBES | SCHERING AKTIENGESELLSCHAFT (DE) | 1994-12-08 | — | — | WO | disclosed |