Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Thiocyanic Acid SCHEMBL9004779 | 0.91 | AR (0.30) | — | |
| SCHEMBL9004830 | 0.85 | HSD11B1 (0.33) | HSD11B1P2RX7 | |
| Hydrochloric Acid SCHEMBL9004732 | 0.78 | CES2 (0.36) | — | |
| SCHEMBL8961799 | 0.76 | HSD11B1 (0.32) | HSD11B1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL9005137 | 0.74 | HSD11B1 (0.31) | HSD11B1ALDH1A1POLBTDP1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL9547761 | 0.74 | HTR2C (0.31) | HSD11B1ALDH1A1POLBTDP1L3MBTL1 | |
| Fluoride SCHEMBL9004753 | 0.74 | HSD11B1 (0.31) | HSD11B1P2RX7 | |
| Hydrochloric Acid SCHEMBL9005001 | 0.74 | EPHX2 (0.34) | MEN1KMT2A | |
| SCHEMBL27384908 | 0.70 | TRPA1 (0.32) | — | |
| SCHEMBL3243312 | 0.70 | — | — |
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-5510539-A | LIQUID KETALS; LONG DARK STORAGE STABILITY | CIBA-GEIGY CORPORATION (US) | 1996-04-23 | — | — | US | disclosed |
| US-5288917-A | Benzil ketals; end-capped polyoxyyethylene glycol; mixed with titanocene-type initiators | CIBA-GEIGY CORPORATION (US) | 1994-02-22 | — | — | US | disclosed |