Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | NPC1 | O15118 | 3/20 | 0.58 |
| ▸ | RAB9A | P51151 | 3/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 3/20 | 0.53 |
| ▸ | CA2 | P00918 | 3/20 | 0.53 |
| ▸ | CA7 | P43166 | 3/20 | 0.53 |
| ▸ | CA9 | Q16790 | 2/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | TNKS | O95271 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.47 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8559766 | 0.92 | MEN1 (0.54) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL1498835 | 0.89 | MEN1 (0.57) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL1267899 | 0.87 | MEN1 (0.58) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL25484888 | 0.87 | MEN1 (0.54) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL8973143 | 0.87 | TSHR (0.60) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL1499013 | 0.87 | MEN1 (0.54) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL18578656 | 0.87 | MEN1 (0.54) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL3970912 | 0.86 | MEN1 (0.76) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL4814264 | 0.86 | MEN1 (0.76) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL379160 | 0.86 | MEN1 (0.76) | MEN1KMT2ANPSR1SMN1; SMN2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |