Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 12/20 | 0.71 |
| ▸ | RARG | P13631 | 9/20 | 0.71 |
| ▸ | RARA | P10276 | 9/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.47 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.47 |
| ▸ | HSPA9 | P38646 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1485938 | 0.88 | RARB (0.69) | RARBRARGRARACYP3A4KMT2A | |
| SCHEMBL9484975 | 0.83 | RARB (0.67) | RARBRARGRARACYP3A4KMT2A | |
| SCHEMBL8604236 | 0.82 | RARB (0.58) | RARBRARGRARACYP3A4KMT2A | |
| SCHEMBL8671725 | 0.82 | RARB (0.53) | RARBRARGRARACYP3A4KMT2A | |
| SCHEMBL8606002 | 0.81 | RARB (0.47) | RARBRARGRARACYP3A4KMT2A | |
| SCHEMBL8606006 | 0.81 | RARB (0.46) | RARBRARGRARACYP3A4KMT2A | |
| SCHEMBL10693400 | 0.80 | RARB (0.53) | RARBRARGRARACYP3A4CYP26A1 | |
| SCHEMBL10693407 | 0.80 | RARB (0.53) | RARBRARGRARACYP3A4CYP26A1 | |
| SCHEMBL444860 | 0.79 | RARB (0.78) | RARBRARGRARACYP3A4KMT2A | |
| SCHEMBL9056981 | 0.78 | ALDH1A1 (0.47) | RARBRARGRARAKMT2AHSPA9 |
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-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 |
| CN-1028174-C | Process and intermediates for preparing compounds having disubstituted acetylene moiety and retinoic acid-like biological activity | ALLERGAN INC (US) | 1995-04-12 | — | — | CN | disclosed |
| CN-1050385-A | Preparation has bioactive method and the intermediate that has the compound of disubstituted acetylene moiety of retinoic acid-like | ALLERGAN INC (US) | 1991-04-03 | — | — | CN | disclosed |