Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.72 |
| ▸ | NCEH1 | Q6PIU2 | 8/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10615666 | 0.88 | TSHR (0.68) | TSHRNCEH1ALDH1A1PKMBCHE | |
| Hydrochloric Acid SCHEMBL29501016 | 0.86 | TSHR (0.66) | TSHRNCEH1ALDH1A1PKMNPC1 | |
| SCHEMBL10778554 | 0.85 | TSHR (0.68) | TSHRNCEH1ALDH1A1PKMNPC1 | |
| SCHEMBL10617746 | 0.81 | ACHE (0.61) | TSHRBCHE | |
| SCHEMBL2198922 | 0.80 | TSHR (0.61) | TSHRNCEH1ALDH1A1PKMNPC1 | |
| Bromomethane SCHEMBL10614793 | 0.79 | ACHE (0.59) | TSHRBCHE | |
| Bromomethane SCHEMBL10614766 | 0.79 | ACHE (0.59) | TSHRBCHE | |
| Bromomethane SCHEMBL10617745 | 0.79 | ACHE (0.59) | TSHRBCHE | |
| Bromomethane SCHEMBL10614806 | 0.79 | ACHE (0.59) | TSHRBCHE | |
| Bromomethane SCHEMBL10617778 | 0.79 | ACHE (0.59) | TSHRBCHE |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-H443-H | CHEMICAL WARFARE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1988-03-01 | — | — | US | disclosed |