Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | ACLY | P53396 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 8/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 5/20 | 0.31 |
| ▸ | CES2 | O00748 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8057710 | 0.90 | THRB (0.55) | THRBACLYTSHRALDH1A1CYP2D6 | |
| SCHEMBL14308119 | 0.82 | THRB (0.59) | THRBACLYTSHRALDH1A1CYP2D6 | |
| SCHEMBL16769632 | 0.80 | THRB (0.64) | THRBACLYTSHRALDH1A1 | |
| SCHEMBL14948543 | 0.80 | THRB (0.64) | THRBACLYTSHRALDH1A1 | |
| SCHEMBL12929868 | 0.80 | THRB (0.64) | THRBACLYTSHRALDH1A1 | |
| SCHEMBL14589534 | 0.80 | THRB (0.64) | THRBACLYTSHRALDH1A1 | |
| SCHEMBL30400000 | 0.80 | THRB (0.64) | THRBACLYTSHRALDH1A1 | |
| Alcohol SCHEMBL10321471 | 0.75 | THRB (0.64) | THRBACLYTSHRALDH1A1FAAH | |
| SCHEMBL8395910 | 0.73 | THRB (0.46) | THRBACLYTSHRALDH1A1CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL15711042 | 0.73 | FAAH (0.46) | TSHRALDH1A1FAAHCES1CES2 |
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-6392032-B1 | COMPOUND FOR USE AS A MODULATOR OF PLANT PROPAGATION; FOR USE AS HERBICIDE; FOR USE AS ANTITUMOR AGENT | BOARD OF REGENTS UNIVERSITY OF NEBRASKA-LINCOLN | 2002-05-21 | — | — | US | disclosed |
| US-6013790-A | Heavily fluorinated sugar analogs | BOARD OF REGENTS UNIVERSITY OF NEBRASKA-LINCOLN (US) | 2000-01-11 | — | — | US | disclosed |