Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FUCA1 | P04066 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.47 |
| ▸ | FAAH | O00519 | 8/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 5/20 | 0.42 |
| ▸ | CES2 | O00748 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.39 |
| ▸ | S1PR2 | O95136 | 3/20 | 0.39 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3928477 | 0.84 | FUCA1 (0.49) | FUCA1EPHX1FAAHALOX15CES1 | |
| Trifluoroacetic Acid SCHEMBL7024064 | 0.83 | FUCA1 (0.47) | FUCA1EPHX1FAAHALOX15CES1 | |
| Trifluoroacetic Acid SCHEMBL29581339 | 0.81 | FAAH (0.54) | EPHX1FAAHCES1CES2MEN1 | |
| Trifluoroacetic Acid SCHEMBL3273685 | 0.81 | FAAH (0.61) | EPHX1FAAHCES1CES2MEN1 | |
| Trifluoroacetic Acid SCHEMBL7710932 | 0.81 | TSHR (0.58) | FUCA1EPHX1FAAHALOX15CES1 | |
| Octane SCHEMBL1696265 | 0.79 | FAAH (0.62) | EPHX1FAAHALOX15CES1CES2 | |
| Nonane SCHEMBL4255344 | 0.79 | FAAH (0.62) | EPHX1FAAHALOX15CES1CES2 | |
| Decane SCHEMBL3416451 | 0.79 | FAAH (0.62) | EPHX1FAAHALOX15CES1CES2 | |
| Heptane SCHEMBL3935940 | 0.79 | FAAH (0.62) | EPHX1FAAHALOX15CES1CES2 | |
| Undecane SCHEMBL3628539 | 0.79 | FAAH (0.62) | EPHX1FAAHALOX15CES1CES2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5736523-A | ADMINISTERING TO THE MAMMAL SUFFERING FROM CANCER | BIOCHEM PHARMA INC. (CA) | 1998-04-07 | — | — | US | disclosed |
| US-5606037-A | Processes antineoplastic heteronaphthoquinones | BIOCHEM PHARMA INC. (CA) | 1997-02-25 | — | — | US | disclosed |
| WO-1995012588-A1 | ANTINEOPLASTIC HETERONAPHTHOQUINONES | BIOCHEM PHARMA INC. (CA) | 1995-05-11 | — | — | WO | disclosed |