Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 9/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.36 |
| ▸ | HTR3B | O95264 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.36 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | NPFFR2 | Q9Y5X5 | 3/20 | 0.32 |
| ▸ | NPFFR1 | Q9GZQ6 | 2/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11602223 | 0.79 | NOTUM (0.44) | NOTUMIDO1HTR3EHTR3BHTR3A | |
| SCHEMBL16699742 | 0.76 | NOTUM (0.47) | NOTUMIDO1HTR3EHTR3BHTR3A | |
| SCHEMBL1043062 | 0.74 | NOTUM (0.41) | NOTUMIDO1HTR3EHTR3BHTR3A | |
| SCHEMBL2986241 | 0.74 | NOTUM (0.46) | NOTUMIDO1HTR3EHTR3BHTR3A | |
| SCHEMBL30100590 | 0.74 | NOTUM (0.46) | NOTUMIDO1HTR3EHTR3BHTR3A | |
| SCHEMBL9510026 | 0.73 | AHR (0.39) | — | |
| SCHEMBL9699563 | 0.72 | AHR (0.43) | NOTUM | |
| SCHEMBL11602077 | 0.70 | CYP3A4 (0.46) | NOTUMIDO1HTR3EHTR3BHTR3A | |
| SCHEMBL8975023 | 0.70 | HTR3E (0.42) | NOTUMIDO1HTR3EHTR3BHTR3A | |
| SCHEMBL4917159 | 0.70 | NOTUM (0.36) | NOTUMIDO1HTR3EHTR3BHTR3A |
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-0399293-B1 | PROCESS FOR PREPARING 2-CHLORO-4-NITRO-ALKYLBENZENE | BAYER AG (DE) | 1993-09-01 | — | — | EP | disclosed |
| US-5095157-A | Friedel-crafts catalyst | BAYER AKTIENGESELLSCHAFT (DE) | 1992-03-10 | — | — | US | disclosed |
| EP-0399293-A1 | Process for preparing 2-chloro-4-nitro-alkylbenzene | BAYER AG (DE) | 1990-11-28 | — | — | EP | disclosed |