Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8620251 | 0.88 | PSMB5 (0.34) | CYP1A2 | |
| Hydrochloric Acid SCHEMBL4078644 | 0.83 | HTR6 (0.34) | HTR6CYP1A2CYP2A6 | |
| SCHEMBL8617032 | 0.78 | KDM4E (0.36) | HTR6 | |
| Hydrochloric Acid SCHEMBL5612566 | 0.78 | HTR6 (0.32) | HTR6CYP1A2CYP2A6 | |
| Hydrochloric Acid SCHEMBL7783023 | 0.72 | PSMB5 (0.34) | CYP1A2 | |
| Hydrochloric Acid SCHEMBL7807249 | 0.72 | CYP1A2 (0.34) | HTR6CYP1A2CYP2A6 | |
| SCHEMBL7202153 | 0.71 | CYP1A2 (0.34) | CYP1A2 | |
| SCHEMBL7800538 | 0.71 | CYP1A2 (0.33) | CYP1A2CYP2A6 | |
| SCHEMBL6758600 | 0.71 | CYP1A2 (0.40) | HTR6CYP1A2CYP2A6 | |
| SCHEMBL8615005 | 0.70 | CNR2 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0837866-A1 | PROCESS FOR CONVERTING THE ACHIRAL MESO FORM OR THE RACEMATE OF AN ANSA-METALLOCENE COMPLEX OR MIXTURES THEREOF INTO ONE OF ITS ENANTIOMERS | BASF AKTIENGESELLSCHAFT (DE) | 1998-04-29 | — | — | EP | disclosed |
| WO-1997003081-A1 | PROCESS FOR CONVERTING THE ACHIRAL MESO FORM OR THE RACEMATE OF AN ANSA-METALLOCENE COMPLEX OR MIXTURES THEREOF INTO ONE OF ITS ENANTIOMERS | BASF AKTIENGESELLSCHAFT (DE) | 1997-01-30 | — | — | WO | disclosed |