Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARA | P10276 | 8/20 | 0.34 |
| ▸ | RARB | P10826 | 8/20 | 0.34 |
| ▸ | RARG | P13631 | 8/20 | 0.34 |
| ▸ | RXRA | P19793 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL330266 | 0.74 | RXRA (0.35) | RARARARBRARGRXRACYP26A1 | |
| SCHEMBL6668874 | 0.71 | EPHX2 (0.39) | RARARARBRARGRXRACYP3A4 | |
| SCHEMBL9192247 | 0.70 | RARA (0.37) | RARARARBRARGRXRACYP3A4 | |
| SCHEMBL9092256 | 0.69 | RARA (0.36) | RARARARBRARGRXRACYP3A4 | |
| SCHEMBL9054107 | 0.69 | RARA (0.36) | RARARARBRARGRXRACYP3A4 | |
| SCHEMBL6665606 | 0.69 | RARA (0.36) | RARARARBRARGRXRACYP3A4 | |
| SCHEMBL8293245 | 0.68 | RARA (0.47) | RARARARBRARGRXRACYP3A4 | |
| SCHEMBL10515346 | 0.67 | RXRA (0.39) | RXRA | |
| SCHEMBL19259616 | 0.67 | RARA (0.37) | RARARARBRARGRXRACYP3A4 | |
| SCHEMBL9054573 | 0.67 | RARA (0.37) | RARARARBRARGRXRACYP3A4 |
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 4 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 |
| 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 |