Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.36 |
| ▸ | PDE5A | O76074 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28810002 | 0.91 | L3MBTL1 (0.38) | TDP1L3MBTL1CYP1B1POLBATM | |
| SCHEMBL29118669 | 0.80 | TDP1 (0.49) | TDP1L3MBTL1CYP1B1CHRNA7NPY5R | |
| SCHEMBL29118737 | 0.78 | L3MBTL1 (0.46) | TDP1L3MBTL1NPY5RKDM4ELMNA | |
| SCHEMBL4237767 | 0.73 | TDP1 (0.46) | TDP1L3MBTL1CHRNA7POLBDHODH | |
| SCHEMBL29249915 | 0.72 | ALDH1A1 (0.51) | TDP1L3MBTL1CYP1B1PDE5AATM | |
| SCHEMBL20623031 | 0.72 | ALDH1A1 (0.51) | TDP1L3MBTL1CYP1B1PDE5AATM | |
| SCHEMBL10356217 | 0.72 | ALDH1A1 (0.51) | TDP1L3MBTL1CYP1B1PDE5AATM | |
| SCHEMBL29249946 | 0.72 | ALDH1A1 (0.51) | TDP1L3MBTL1CYP1B1PDE5AATM | |
| SCHEMBL29249988 | 0.72 | ALDH1A1 (0.51) | TDP1L3MBTL1CYP1B1PDE5AATM | |
| SCHEMBL4645332 | 0.71 | CYP1B1 (0.43) | TDP1L3MBTL1CYP1B1POLBPDE5A |
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 |
|---|---|---|---|---|---|---|---|
| CN-109134362-A | A kind of method that the nonmetal catalyzed active carboxylic acid's ester decarboxylation of photoinduction introduces azacyclo- | 中国科学技术大学 | 2019-01-04 | — | — | CN | disclosed |