Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | MMP8 | P22894 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7038420 | 0.86 | POLB (0.54) | GAAMMP8KDM4EPIN1TDP1 | |
| SCHEMBL23027213 | 0.86 | POLB (0.54) | GAAMMP8KDM4EPIN1TDP1 | |
| SCHEMBL260296 | 0.86 | GAA (0.62) | GAAMMP8KDM4EPIN1TDP1 | |
| SCHEMBL23027214 | 0.86 | GAA (0.62) | GAAMMP8KDM4EPIN1TDP1 | |
| SCHEMBL805646 | 0.86 | GAA (0.62) | GAAMMP8KDM4EPIN1TDP1 | |
| SCHEMBL7520108 | 0.85 | KMT2A (0.55) | GAAMEN1KMT2APOLBALDH1A1 | |
| SCHEMBL6671021 | 0.85 | MMP8 (0.51) | GAAMMP8PIN1TDP1MEN1 | |
| Hydrogen Sulfide SCHEMBL28874620 | 0.84 | GAA (0.60) | GAAMMP8KDM4EPIN1TDP1 | |
| Hydrogen Sulfide SCHEMBL27877648 | 0.84 | GAA (0.60) | GAAMMP8KDM4EPIN1TDP1 | |
| SCHEMBL4206097 | 0.83 | MMP8 (0.50) | GAAMMP8PIN1TDP1MEN1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5717094-A | 6-THIOCHROMANYL-ETHYNE, 6-CHROMANYL ETHYNE AND 6-TETRAHYDROQUINOLINYL ETHYNE OR THEIR METAL SALTS ARE REACTED WITH SUITABLE HALO SUBSTITUTED PHENYL OR HETEROARYL COMPUNDS | ALLERGAN (US) | 1998-02-10 | — | — | US | disclosed |
| EP-0419132-B1 | Process and intermediates for preparing compounds having a disubstituted acetylene moiety and retinoic acid-like biological activity | ALLERGAN INC (US) | 1995-09-06 | — | — | EP | disclosed |
| US-5248777-A | Inhibitors of ornithine decarboxylase | ALLERGAN, INC. (US) | 1993-09-28 | — | — | US | disclosed |
| US-5053523-A | Chemical intermediate for compounds having retinoic acid-like activity | ALLERGAN, INC. (US) | 1991-10-01 | — | — | US | disclosed |
| US-5023341-A | Acetylene thiochroman | ALLERGAN, INC. (US) | 1991-06-11 | — | — | US | disclosed |
| EP-0419132-A2 | Process and intermediates for preparing compounds having a disubstituted acetylene moiety and retinoic acid-like biological activity | ALLERGAN, INC. (US) | 1991-03-27 | — | — | EP | disclosed |