Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 6/20 | 0.47 |
| ▸ | CNR2 | P34972 | 4/20 | 0.40 |
| ▸ | CNR1 | P21554 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | THRB | P10828 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL11763412 | 0.84 | ALDH1A1 (0.50) | S1PR1CNR2CNR1ALDH1A1CA12 | |
| SCHEMBL4751121 | 0.81 | TSHR (0.54) | S1PR1CNR2CNR1ALDH1A1L3MBTL1 | |
| SCHEMBL11765475 | 0.81 | CNR2 (0.50) | S1PR1CNR2CNR1CA12CA2 | |
| SCHEMBL11681022 | 0.79 | TSHR (0.58) | CNR2CNR1ALDH1A1L3MBTL1CA12 | |
| Methanesulfonamide SCHEMBL10668060 | 0.79 | ALDH1A1 (0.54) | ALDH1A1L3MBTL1CA12CA2CA9 | |
| SCHEMBL2845181 | 0.75 | ALDH1A1 (0.63) | ALDH1A1L3MBTL1MEN1KMT2ATDP1 | |
| SCHEMBL1199323 | 0.75 | CYP2C19 (0.53) | S1PR1CNR2ALDH1A1L3MBTL1 | |
| SCHEMBL28370640 | 0.74 | S100B (0.54) | S1PR1CNR2CNR1ALDH1A1THRB | |
| SCHEMBL11681894 | 0.72 | S1PR1 (0.43) | S1PR1CNR2CNR1CA12CA2 | |
| SCHEMBL10788121 | 0.72 | QPCT (0.52) | CNR2CNR1ALDH1A1L3MBTL1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4008262-A | DISPERSE DYE INTERMEDIATE | AMERICAN COLOR & CHEMICAL CORPORATION (US) | 1977-02-15 | — | — | US | disclosed |
| US-3954830-A | Yellow methine dyes for hydrophobic textile material | AMERICAN ANILINE PRODUCTS, INC. (US) | 1976-05-04 | — | — | US | disclosed |