Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Indene SCHEMBL28067320 | 0.83 | CYP3A4 (0.48) | CYP3A4TDP1ESR1ESR2CA1 | |
| Indene SCHEMBL28021686 | 0.77 | CYP3A4 (0.41) | CYP3A4TDP1ESR1ESR2CA1 | |
| SCHEMBL5158791 | 0.72 | TYRO3 (0.40) | ESR1ESR2CA1CA2 | |
| Indene SCHEMBL27563612 | 0.69 | CA1 (0.53) | CA1CA2CYP2D6CYP2C19 | |
| SCHEMBL29647884 | 0.69 | MAPT (0.36) | CYP3A4CA1CA2 | |
| SCHEMBL2730845 | 0.69 | MAPT (0.36) | CYP3A4CA1CA2 | |
| SCHEMBL16094788 | 0.68 | TDP1 (0.92) | CYP3A4TDP1ESR1ESR2CA1 | |
| SCHEMBL1301471 | 0.68 | TDP1 (0.92) | CYP3A4TDP1ESR1ESR2CA1 | |
| SCHEMBL9629684 | 0.68 | CA1 (0.34) | CA1CA2 | |
| SCHEMBL28145470 | 0.67 | MAPT (0.35) | CYP3A4CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5612462-A | Process for preparing bridged stereorigid metallocenes | WITCO GMBH (DE) | 1997-03-18 | — | — | US | disclosed |
| US-5543535-A | Organotin compounds useful in preparing bridged stereorigid metallocenes | WITCO GMBH (DE) | 1996-08-06 | — | — | US | disclosed |