Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL4803104 | 0.93 | THRB (0.37) | THRBALDH1A1 | |
| SCHEMBL11350847 | 0.82 | — | — | |
| SCHEMBL27755488 | 0.80 | EPHX1 (0.32) | EPHX1THRBALDH1A1 | |
| SCHEMBL27755474 | 0.80 | EPHX1 (0.32) | EPHX1THRBALDH1A1 | |
| SCHEMBL7060090 | 0.79 | OPRM1 (0.31) | EPHX1 | |
| SCHEMBL27776054 | 0.78 | EPHX1 (0.31) | EPHX1THRB | |
| SCHEMBL27776072 | 0.78 | EPHX1 (0.31) | EPHX1THRB | |
| SCHEMBL18980967 | 0.74 | SLC6A2 (0.34) | EPHX1THRBALDH1A1 | |
| SCHEMBL15560285 | 0.73 | THRB (0.42) | EPHX1THRBALDH1A1 | |
| SCHEMBL6174741 | 0.73 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0288515-B1 | QUATERNIZED NITROGEN CONTAINING COMPOUNDS | ISP INVESTMENTS INC. (US) | 1993-05-05 | — | — | EP | disclosed |
| EP-0288515-A4 | QUATERNIZED NITROGEN CONTAINING COMPOUNDS | — | 1990-09-26 | — | — | EP | disclosed |
| US-4883655-A | HAIR OR SKIN CONDITIONING | GAF CORPORATION (US) | 1989-11-28 | — | — | US | disclosed |
| EP-0288515-A1 | QUATERNIZED NITROGEN CONTAINING COMPOUNDS. | GAF CORP (US) | 1988-11-02 | — | — | EP | disclosed |
| WO-1988002985-A1 | QUATERNIZED NITROGEN CONTAINING COMPOUNDS | GAF CORPORATION (US) | 1988-05-05 | — | — | WO | disclosed |