Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CHKA | P35790 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | PHGDH | O43175 | 1/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | NCF1 | P14598 | 1/20 | 0.30 |
| ▸ | PRMT6 | Q96LA8 | 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 | |
|---|---|---|---|---|
| SCHEMBL139241 | 0.97 | TDP1 (0.38) | TDP1CYP1A2KDM4EHTTCHKA | |
| SCHEMBL4311811 | 0.97 | TDP1 (0.38) | TDP1CYP1A2KDM4EHTTCHKA | |
| SCHEMBL12354598 | 0.97 | TDP1 (0.38) | TDP1CYP1A2KDM4EHTTCHKA | |
| SCHEMBL10179314 | 0.94 | TDP1 (0.37) | TDP1CYP1A2KDM4EHTTCHKA | |
| SCHEMBL5675656 | 0.94 | TDP1 (0.37) | TDP1CYP1A2KDM4EHTTCHKA | |
| Hydrochloric Acid SCHEMBL3998282 | 0.91 | TDP1 (0.35) | TDP1CYP1A2KDM4EHTTCHKA | |
| Hydrochloric Acid SCHEMBL3998279 | 0.91 | HTT (0.39) | TDP1CYP1A2KDM4EHTTCHKA | |
| SCHEMBL12133531 | 0.89 | CYP1A2 (0.40) | TDP1CYP1A2KDM4EPHGDHMGLL | |
| SCHEMBL12133532 | 0.89 | CYP1A2 (0.40) | TDP1CYP1A2KDM4EPHGDHMGLL | |
| SCHEMBL12853356 | 0.89 | CYP1A2 (0.40) | TDP1CYP1A2KDM4EPHGDHMGLL |
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 |
|---|---|---|---|---|---|---|---|
| US-9353120-B2 | Tetraaza macrocyclic compound, preparation method thereof and use thereof | KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) | 2016-05-31 | — | — | US | disclosed |