Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 3/20 | 0.64 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | NAMPT | P43490 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | TOP2A | P11388 | 1/20 | 0.43 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.43 |
| ▸ | CYP4F11 | Q9HBI6 | 1/20 | 0.43 |
| ▸ | CYP4F12 | Q9HCS2 | 1/20 | 0.43 |
| ▸ | TNF | P01375 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17284798 | 0.87 | CYP4F2 (0.56) | CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL12848923 | 0.85 | CYP4F2 (0.47) | CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL17244592 | 0.84 | ALDH1A1 (0.52) | CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL7722448 | 0.83 | CYP4F2 (0.70) | CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL4270902 | 0.81 | CYP4F2 (0.64) | CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL8851552 | 0.81 | CYP4F2 (0.68) | CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL11588447 | 0.81 | CYP4F2 (0.68) | CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL9157019 | 0.81 | CYP4F2 (0.64) | CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL1511092 | 0.81 | CYP4F2 (0.64) | CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL5132516 | 0.80 | PKM (0.56) | CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP2D6 |
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 |