Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 5/20 | 0.36 |
| ▸ | GPR3 | P46089 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 3/20 | 0.33 |
| ▸ | KDM1A | O60341 | 3/20 | 0.33 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.33 |
| ▸ | HTR3B | O95264 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.33 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | MPL | P40238 | 1/20 | 0.33 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30792979 | 0.98 | KIF11 (0.35) | KIF11GPR3CYP11B1CYP11B2ALDH1A1 | |
| SCHEMBL10830423 | 0.89 | HTR3E (0.38) | KIF11GPR3CYP11B1CYP11B2ALDH1A1 | |
| SCHEMBL7921991 | 0.87 | CYP11B1 (0.41) | KIF11GPR3CYP11B1CYP11B2PDE2A | |
| SCHEMBL8462010 | 0.85 | HTR3E (0.41) | CYP11B1CYP11B2ALDH1A1TDP1IDO1 | |
| SCHEMBL7272204 | 0.80 | NOTUM (0.42) | KIF11CYP11B1CYP11B2ALDH1A1TDP1 | |
| SCHEMBL25245221 | 0.79 | KDM1A (0.37) | KIF11ALDH1A1TDP1IDO1KDM1A | |
| SCHEMBL25789703 | 0.79 | RAPGEF4 (0.38) | ALDH1A1TDP1PDE2AIDO1HTR3E | |
| SCHEMBL25290779 | 0.79 | NOTUM (0.36) | CYP11B1CYP11B2ALDH1A1TDP1IDO1 | |
| SCHEMBL25036379 | 0.79 | CD44 (0.38) | KIF11GPR3CYP11B1CYP11B2PDE2A | |
| SCHEMBL21384555 | 0.79 | GAA (0.46) | KIF11GPR3CYP11B1CYP11B2IDO1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4885415-A | HYDROGENATION, DECHLORINATION, CATALYSIS | BAYER AKTIENGESELLSCHAFT (DE) | 1989-12-05 | — | — | US | claimed |
| EP-0270964-B1 | PROCESS FOR OBTAINING SUBSTITUTED FLUOROBENZENES | BAYER AG (DE) | 1992-07-08 | — | — | EP | disclosed |
| EP-0302326-B1 | PROCESS FOR PREPARING FLUORINATED AND OPTIONALLY ALSO CHLORINATED BENZOTRIFLUORIDES, AND BENZOTRIFLUORIDES | BAYER AG (DE) | 1992-04-15 | — | — | EP | disclosed |
| US-4962246-A | INSECTICIDE INTERMEDIATES | BAYER AKTIENGESELLSCHAFT (DE) | 1990-10-09 | — | — | US | disclosed |
| US-4885415-A | HYDROGENATION, DECHLORINATION, CATALYSIS | BAYER AKTIENGESELLSCHAFT (DE) | 1989-12-05 | — | — | US | disclosed |
| US-4868347-A | SOLVENT EXTRACTION | BAYER AKTIENGESELLSCHAFT (DE) | 1989-09-19 | — | — | US | disclosed |
| EP-0302326-A1 | Process for preparing fluorinated and optionally also chlorinated benzotrifluorides, and benzotrifluorides | BAYER AG (DE) | 1989-02-08 | — | — | EP | disclosed |
| EP-0270964-A2 | Process for obtaining substituted fluorobenzenes | BAYER AG (DE) | 1988-06-15 | — | — | EP | disclosed |