Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.49 |
| ▸ | CES1 | P23141 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 4/20 | 0.38 |
| ▸ | CA1 | P00915 | 4/20 | 0.38 |
| ▸ | CA2 | P00918 | 4/20 | 0.38 |
| ▸ | CA7 | P43166 | 4/20 | 0.38 |
| ▸ | CA9 | Q16790 | 4/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8731592 | 0.86 | CES2 (0.36) | CES2CES1TSHRNPSR1TDP1 | |
| SCHEMBL6779772 | 0.84 | TSHR (0.37) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL8787463 | 0.84 | CTSS (0.34) | CES2CES1TSHRCA12CA1 | |
| SCHEMBL1958113 | 0.81 | TSHR (0.57) | CES2CES1TSHRCA12CA1 | |
| SCHEMBL9416413 | 0.79 | CES2 (0.50) | CES2CES1TSHRNPSR1TDP1 | |
| SCHEMBL9675530 | 0.76 | MAPT (0.36) | CES2CES1TSHRNPSR1HTT | |
| SCHEMBL8165888 | 0.75 | CES2 (0.58) | CES2CES1ALDH1A1 | |
| SCHEMBL22261452 | 0.75 | TSHR (0.53) | CES2CES1TSHRCA12CA1 | |
| SCHEMBL29604715 | 0.75 | TSHR (0.53) | CES2CES1TSHRCA12CA1 | |
| SCHEMBL312535 | 0.74 | CES2 (0.47) | CES2CES1TSHRCA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0607824-B1 | Method for the production of multiply halogenated benzotrichlorides and benzoyl chlorides as well as new multiply halogenated benzotrichlorides | BAYER AG (DE) | 1998-04-22 | — | — | EP | disclosed |
| EP-0607824-A2 | Method for the production of multiply halogenated benzotrifluorides, benzotrichlorides and benzoyl chlorides as well as trihalobenzotrichlorides and -benzoyl chlorides | BAYER AG (DE) | 1994-07-27 | — | — | EP | disclosed |
| EP-0607825-A1 | 6-H-4-OXO-3-quinoline-carboxylic acids and their analogues as antibacterial agents | BAYER AG (DE) | 1994-07-27 | — | — | EP | disclosed |