Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.50 |
| ▸ | HTR2A | P28223 | 2/20 | 0.49 |
| ▸ | NCEH1 | Q6PIU2 | 3/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL10614802 | 0.85 | TSHR (0.72) | TSHRALDH1A1NCEH1PKMNPC1 | |
| SCHEMBL2198922 | 0.84 | TSHR (0.61) | TSHRALDH1A1NCEH1PKMNPC1 | |
| Hydrochloric Acid SCHEMBL29501016 | 0.84 | TSHR (0.66) | TSHRALDH1A1NCEH1PKMNPC1 | |
| SCHEMBL10615666 | 0.83 | TSHR (0.68) | TSHRALDH1A1NCEH1PKM | |
| SCHEMBL2203331 | 0.83 | TSHR (0.60) | TSHRALDH1A1NCEH1PKMNPC1 | |
| SCHEMBL16965607 | 0.81 | TSHR (0.58) | TSHRALDH1A1NCEH1PKMNPC1 | |
| SCHEMBL16965115 | 0.81 | RAB9A (0.60) | TSHRALDH1A1NCEH1PKMNPC1 | |
| SCHEMBL6171598 | 0.80 | TSHR (0.57) | TSHRALDH1A1NCEH1PKMNPC1 | |
| SCHEMBL10617746 | 0.79 | ACHE (0.61) | TSHR | |
| SCHEMBL30887831 | 0.79 | TSHR (0.56) | TSHRALDH1A1NCEH1PKMNPC1 |
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-4677222-A | NERVE GAS FOR CHEMICAL WARFARE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1987-06-30 | — | — | US | disclosed |
| US-4241218-A | TOXIC AGENTS FOR CHEMICAL WARFARE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1980-12-23 | — | — | US | disclosed |