Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 6/20 | 0.32 |
| ▸ | ESR1 | P03372 | 5/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL1435797 | 0.95 | — | — | |
| SCHEMBL1941915 | 0.88 | — | — | |
| SCHEMBL1941986 | 0.83 | — | — | |
| SCHEMBL1943309 | 0.81 | — | — | |
| SCHEMBL6233958 | 0.80 | — | — | |
| SCHEMBL8616238 | 0.77 | — | — | |
| SCHEMBL17090752 | 0.75 | — | — | |
| SCHEMBL4614450 | 0.75 | — | — | |
| SCHEMBL10880063 | 0.74 | — | — | |
| SCHEMBL21085070 | 0.74 | CYP1A2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5646144-A | FOR TREATING DISORDERS IN WHICH SUBSTANCE P PLAYS A PART IN DEVELOPMENT | CIBA-GEIGY CORPORATION (US) | 1997-07-08 | — | — | US | disclosed |
| US-5541195-A | SUBSTANCE P ANTAGONISTS | CIBA-GEIGY CORPORATION (US) | 1996-07-30 | — | — | US | disclosed |
| US-5310743-A | Substance P antagonist | CIBA-GEIGY CORP. (US) | 1994-05-10 | — | — | US | disclosed |