Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DDT | P30046 | 1/20 | 0.57 |
| ▸ | KMO | O15229 | 1/20 | 0.52 |
| ▸ | DHODH | Q02127 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | HNF4A | P41235 | 3/20 | 0.48 |
| ▸ | CDC25B | P30305 | 2/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.47 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | DAO | P14920 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | FABP3 | P05413 | 1/20 | 0.44 |
| ▸ | FABP4 | P15090 | 1/20 | 0.44 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.44 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.44 |
| ▸ | DHFR | P00374 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2947834 | 0.85 | KMO (0.63) | DDTKMOHNF4AFOLH1PLA2G2A | |
| SCHEMBL29400093 | 0.85 | KMO (0.63) | DDTKMOHNF4AFOLH1PLA2G2A | |
| SCHEMBL10782352 | 0.85 | DDT (0.67) | DDTKMOFOLH1PLA2G2APTPN1 | |
| SCHEMBL28910860 | 0.84 | DHODH (0.50) | DDTKMODHODHALDH1A1ALOX15 | |
| SCHEMBL70541 | 0.84 | KDM4E (0.56) | DDTKMOALDH1A1HNF4ACDC25B | |
| Terephthalic Acid SCHEMBL28437947 | 0.82 | KDM4E (0.55) | DDTKMOALDH1A1HNF4ACDC25B | |
| Hydrochloric Acid SCHEMBL28890344 | 0.82 | KDM4E (0.55) | DDTKMOALDH1A1HNF4ACDC25B | |
| SCHEMBL27827385 | 0.82 | KMO (0.65) | DDTKMODHODHHNF4ACDC25B | |
| SCHEMBL9423207 | 0.81 | PTPN1 (0.47) | DDTKMODHODHALDH1A1HNF4A | |
| SCHEMBL21801848 | 0.81 | KMO (0.69) | DDTKMODHODHHNF4AFOLH1 |
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-102762574-A | Benzoxapi 3K inhibitor compounds and methods of use | HOFFMANN LA ROCHE | 2012-10-31 | — | — | CN | disclosed |