Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 3/20 | 0.37 |
| ▸ | MMP8 | P22894 | 3/20 | 0.37 |
| ▸ | MMP12 | P39900 | 3/20 | 0.37 |
| ▸ | MMP13 | P45452 | 3/20 | 0.37 |
| ▸ | MMP14 | P50281 | 3/20 | 0.37 |
| ▸ | MMP16 | P51512 | 3/20 | 0.37 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28261500 | 0.90 | TSHR (0.41) | ALDH1A1GLATSHRHDAC3HDAC1 | |
| SCHEMBL9729218 | 0.89 | AKR1B1 (0.39) | AKR1B1PTGS2MMP2MMP8MMP12 | |
| SCHEMBL7375645 | 0.84 | TSHR (0.37) | ALDH1A1GLATSHRHDAC3HDAC1 | |
| SCHEMBL29836138 | 0.84 | TSHR (0.37) | TSHRMMP2MMP12MMP13MMP14 | |
| SCHEMBL994015 | 0.82 | AKR1B1 (0.43) | AKR1B1PTGS2MMP2MMP8MMP12 | |
| SCHEMBL23498172 | 0.82 | TAAR1 (0.37) | ALDH1A1GLATSHRHDAC3HDAC1 | |
| SCHEMBL29723767 | 0.82 | TAAR1 (0.37) | ALDH1A1GLATSHRHDAC3HDAC1 | |
| SCHEMBL12117477 | 0.81 | CYP3A4 (0.54) | ALDH1A1TSHRL3MBTL1 | |
| SCHEMBL17077864 | 0.81 | TSHR (0.39) | AKR1B1ALDH1A1GLATSHRHDAC3 | |
| SCHEMBL30443001 | 0.81 | CYP3A4 (0.54) | ALDH1A1TSHRL3MBTL1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5102667-A | Antiallergens, antiinflammatory agents, nervous system disorders, immunology, psychological disorders | RHONE-POULENC SANTE (FR) | 1992-04-07 | — | — | US | disclosed |