Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.60 |
| ▸ | MLYCD | O95822 | 14/20 | 0.50 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17187850 | 0.81 | CES1 (0.60) | CES1MLYCDTRPV1ALDH1A1 | |
| SCHEMBL978677 | 0.81 | CES1 (0.60) | CES1MLYCDTRPV1ALDH1A1 | |
| SCHEMBL19056956 | 0.80 | CES1 (0.65) | CES1MLYCDTRPV1 | |
| SCHEMBL19371250 | 0.79 | CES1 (0.58) | CES1MLYCDTRPV1 | |
| SCHEMBL68148 | 0.79 | ALDH1A1 (0.59) | CES1ALDH1A1 | |
| SCHEMBL20587670 | 0.79 | ALDH1A1 (0.59) | CES1ALDH1A1 | |
| SCHEMBL2174033 | 0.78 | CES1 (0.62) | CES1MLYCDTRPV1 | |
| SCHEMBL16823 | 0.78 | CES1 (0.62) | CES1MLYCDTRPV1 | |
| SCHEMBL1421656 | 0.78 | CES1 (0.70) | CES1MLYCDALDH1A1 | |
| Carbon Tetrachloride SCHEMBL28375538 | 0.76 | ALDH1A1 (0.52) | CES1ALDH1A1 |
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-6177417-B1 | HOST MATERIAL FOR ION SENSORS | Pyun, Hyung Jung (KR) | 2001-01-23 | — | — | US | claimed |
| US-6177417-B1 | HOST MATERIAL FOR ION SENSORS | Pyun, Hyung Jung (KR) | 2001-01-23 | — | — | US | disclosed |