Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7252931 | 0.82 | CYP1A2 (0.43) | CYP1A2KDM4EMAPTPABPC1SMN1; SMN2 | |
| SCHEMBL7645586 | 0.79 | CYP1A2 (0.41) | CYP1A2KDM4EMAPTPABPC1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL6898339 | 0.79 | CYP1A2 (0.41) | CYP1A2KDM4EMAPTPABPC1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL21980376 | 0.77 | CYP1A2 (0.35) | CYP1A2 | |
| SCHEMBL2233259 | 0.75 | CYP1A2 (0.36) | CYP1A2 | |
| SCHEMBL27618424 | 0.73 | EDNRB (0.33) | MAPTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL6435334 | 0.70 | CYP1A2 (0.32) | CYP1A2 | |
| SCHEMBL4094216 | 0.69 | LMNA (0.32) | SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8614076 | 0.68 | CYP19A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL7638798 | 0.67 | LMNA (0.31) | KDM4ESMN1; SMN2 |
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-0883623-A4 | PREPARATION OF CHIRAL TITANOCENES | BOULDER SCIENT CO (US) | 2000-06-28 | — | — | EP | disclosed |
| EP-0883623-A1 | PREPARATION OF CHIRAL TITANOCENES | BOULDER SCIENTIFIC COMPANY (US) | 1998-12-16 | — | — | EP | disclosed |
| WO-1998022477-A1 | PREPARATION OF CHIRAL TITANOCENES | BOULDER SCIENTIFIC COMPANY (US) | 1998-05-28 | — | — | WO | disclosed |