Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.40 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.40 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NAAA | Q02083 | 3/20 | 0.38 |
| ▸ | SPHK1 | Q9NYA1 | 4/20 | 0.36 |
| ▸ | SPHK2 | Q9NRA0 | 3/20 | 0.36 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL28856113 | 0.94 | THRB (0.50) | THRBMEN1KMT2ACYP1A2DPP4 | |
| Octadecylamine SCHEMBL12234506 | 0.88 | DNM1 (0.59) | THRBMEN1KMT2ACYP1A2GNAI3 | |
| SCHEMBL2857968 | 0.81 | DPP4 (0.49) | THRBMEN1KMT2ACYP1A2DPP4 | |
| Hexanoate SCHEMBL27506239 | 0.81 | AKR1B1 (0.61) | MEN1KMT2ACYP1A2TSHR | |
| Cyclohexylamine SCHEMBL588721 | 0.80 | CYP1A2 (0.50) | CYP1A2DPP4GNAI3GNAO1GNAI1 | |
| SCHEMBL28136908 | 0.79 | OPRM1 (0.43) | THRBMEN1KMT2ACYP1A2SPHK1 | |
| SCHEMBL2453079 | 0.79 | DPP4 (0.47) | THRBMEN1KMT2ACYP1A2DPP4 | |
| SCHEMBL2869525 | 0.79 | DPP4 (0.47) | THRBMEN1KMT2ACYP1A2DPP4 | |
| SCHEMBL2447602 | 0.79 | DPP4 (0.47) | THRBMEN1KMT2ACYP1A2DPP4 | |
| Octane SCHEMBL27874847 | 0.78 | GNAI3 (0.52) | THRBCYP1A2GNAI3GNAO1GNAI1 |
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-4658047-A | Method of preparing 1,2-diaminocyclohexane tetrachloro platinum (IV) isomers | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1987-04-14 | — | — | US | disclosed |