Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.57 |
| ▸ | CA2 | P00918 | 5/20 | 0.57 |
| ▸ | CES2 | O00748 | 2/20 | 0.53 |
| ▸ | CES1 | P23141 | 2/20 | 0.53 |
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.50 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.50 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | PLK1 | P53350 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.46 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL31160503 | 0.81 | CA1 (0.57) | CA1CA2CES2CES1PARP1 | |
| SCHEMBL2019776 | 0.81 | CA1 (0.61) | CA1CA2CES2CES1PARP1 | |
| SCHEMBL17200992 | 0.81 | CA1 (0.61) | CA1CA2CES2CES1PARP1 | |
| SCHEMBL17714706 | 0.81 | CA1 (0.61) | CA1CA2CES2CES1PARP1 | |
| SCHEMBL17200993 | 0.81 | CA1 (0.61) | CA1CA2CES2CES1PARP1 | |
| SCHEMBL7072098 | 0.80 | PARP10 (0.55) | PARP10ALDH1A1RAB9A | |
| SCHEMBL27612954 | 0.80 | CES2 (0.54) | CA1CA2CES2CES1CYP3A4 | |
| SCHEMBL6655424 | 0.79 | CA1 (0.59) | CA1CA2CES2CES1PARP1 | |
| SCHEMBL6655419 | 0.79 | CA1 (0.59) | CA1CA2CES2CES1PARP1 | |
| SCHEMBL6655426 | 0.79 | CA1 (0.59) | CA1CA2CES2CES1PARP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0946492-B1 | NOVEL 2-FLUOROACRYLIC ACID DERIVATIVES, NOVEL MIXTURES OF HERBICIDES AND ANTIDOTES AND THE USE THEREOF | BAYER CROPSCIENCE GMBH (DE) | 2003-06-18 | — | — | EP | claimed |