Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TACR1 | P25103 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Calcobutrol SCHEMBL16479551 | 0.84 | SLC6A9 (0.43) | SLC6A9HSD17B10TACR1MEN1KMT2A | |
| Calcobutrol SCHEMBL1875231 | 0.84 | SLC6A9 (0.43) | SLC6A9HSD17B10TACR1MEN1KMT2A | |
| Calcobutrol SCHEMBL22763151 | 0.84 | SLC6A9 (0.43) | SLC6A9HSD17B10TACR1MEN1KMT2A | |
| SCHEMBL23802703 | 0.84 | SLC6A9 (0.43) | SLC6A9HSD17B10TACR1MEN1KMT2A | |
| Calcobutrol SCHEMBL10024738 | 0.84 | SLC6A9 (0.43) | SLC6A9HSD17B10TACR1MEN1KMT2A | |
| SCHEMBL23802704 | 0.84 | SLC6A9 (0.43) | SLC6A9HSD17B10TACR1MEN1KMT2A | |
| SCHEMBL12671512 | 0.84 | SLC6A9 (0.43) | SLC6A9HSD17B10TACR1MEN1KMT2A | |
| Calcobutrol SCHEMBL20540234 | 0.84 | SLC6A9 (0.43) | SLC6A9HSD17B10TACR1MEN1KMT2A | |
| Calcobutrol SCHEMBL29764073 | 0.84 | SLC6A9 (0.43) | SLC6A9HSD17B10TACR1MEN1KMT2A | |
| Calcobutrol SCHEMBL21618318 | 0.83 | SLC6A9 (0.42) | SLC6A9HSD17B10TACR1 |
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-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 |