Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TOP2A | P11388 | 4/20 | 0.39 |
| ▸ | TOP2B | Q02880 | 4/20 | 0.39 |
| ▸ | STAT3 | P40763 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7500713 | 0.89 | ADRB2 (0.47) | ADRB2TDP1HPGDKDM4EALDH1A1 | |
| SCHEMBL8735574 | 0.88 | ADRB2 (0.61) | ADRB2HPGDKDM4EALDH1A1HSD17B10 | |
| SCHEMBL9148042 | 0.87 | ADRB2 (0.55) | ADRB2TDP1HTTHPGDKDM4E | |
| SCHEMBL6783818 | 0.87 | ADRB2 (0.59) | ADRB2TDP1HTTHPGDKDM4E | |
| SCHEMBL115123 | 0.86 | ADRB2 (0.54) | ADRB2TDP1HTTHPGDKDM4E | |
| SCHEMBL4466378 | 0.85 | ADRB2 (0.53) | ADRB2TDP1HTTALDH1A1KMT2A | |
| SCHEMBL116273 | 0.84 | ADRB2 (0.52) | ADRB2TDP1HTTHPGDKDM4E | |
| SCHEMBL4248696 | 0.84 | TOP2A (0.39) | ADRB2TDP1HPGDKDM4EALDH1A1 | |
| SCHEMBL8785240 | 0.83 | TOP2A (0.54) | HPGDKDM4EALDH1A1HSD17B10KMT2A | |
| SCHEMBL8927285 | 0.83 | ADRB2 (0.49) | ADRB2HTTHPGDKDM4EALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5648567-A | INTERMEDIATES FOR BACTERICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1997-07-15 | — | — | US | disclosed |
| US-5493048-A | REACTING METALLIZED FLUORO-TRIFLUOROMETHYLBENZENE DERIVATIVE WITH CARBON DIOXIDE AND PRODUCT IS THEN HYDROLYSED WITH AN ACID TO FORM ACID, SIMILARLY HALOGENATION GIVE ACID HALIDE AND WITH ALCOHOL GIVES ESTER | BAYER AKTIENGESELLSCHAFT (DE) | 1996-02-20 | — | — | US | disclosed |
| US-5457104-A | Antibacterials | BAYER AKTIENGESELLSCHAFT (DE) | 1995-10-10 | — | — | US | disclosed |