Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.35 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.35 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MMP8 | P22894 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | CAPN9 | O14815 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.31 |
| ▸ | CTSB | P07858 | 1/20 | 0.31 |
| ▸ | CTSG | P08311 | 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 | |
|---|---|---|---|---|
| SCHEMBL8160913 | 0.84 | TDP1 (0.42) | TDP1MEN1KMT2ASLC1A3SLC1A2 | |
| SCHEMBL335395 | 0.84 | TDP1 (0.44) | TDP1MEN1KMT2APOLBTSHR | |
| Butane SCHEMBL6830203 | 0.82 | SLC1A3 (0.39) | TDP1SLC1A3SLC1A2SLC1A1POLB | |
| Ethane SCHEMBL28448159 | 0.82 | TDP1 (0.43) | TDP1MEN1KMT2APOLBTSHR | |
| SCHEMBL1010641 | 0.80 | ALDH1A1 (0.42) | TDP1MEN1KMT2APOLBPIN1 | |
| SCHEMBL1008665 | 0.75 | SLC1A3 (0.41) | TDP1SLC1A3SLC1A2SLC1A1MAPK1 | |
| SCHEMBL4613905 | 0.75 | TDP1 (0.50) | TDP1MEN1KMT2APOLBTSHR | |
| SCHEMBL27868181 | 0.75 | CYP3A4 (0.47) | TDP1SLC1A3SLC1A2SLC1A1TSHR | |
| SCHEMBL4142966 | 0.74 | TP53 (0.41) | TDP1MEN1KMT2APOLBTSHR | |
| SCHEMBL489304 | 0.74 | MME (0.43) | TDP1SLC1A3SLC1A2ALDH1A1MMP8 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004076425-A1 | IMPROVED SYNTHESIS OF MACROCYCLIC TETRAAMIDO COMPOUNDS AND NEW METAL INSERTION PROCESS | CARNEGIE MELLON UNIVERSITY (US) | 2004-09-10 | — | — | WO | disclosed |