Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | NAAA | Q02083 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | AGXT | P21549 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22856950 | 0.79 | TSHR (0.56) | TSHRTDP1L3MBTL1NAAAALDH1A1 | |
| SCHEMBL11300552 | 0.76 | TSHR (0.58) | TSHRTDP1L3MBTL1NAAAALDH1A1 | |
| SCHEMBL8722949 | 0.76 | CYP1A2 (0.45) | TDP1ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL1991359 | 0.75 | TSHR (0.78) | TSHRTDP1L3MBTL1NAAACA1 | |
| SCHEMBL4055858 | 0.75 | TSHR (0.56) | TSHRTDP1L3MBTL1NAAAALDH1A1 | |
| SCHEMBL25985784 | 0.75 | TSHR (0.56) | TSHRTDP1L3MBTL1NAAAALDH1A1 | |
| SCHEMBL29887576 | 0.75 | ALDH1A1 (0.56) | TSHRTDP1L3MBTL1NAAAALDH1A1 | |
| Alcohol SCHEMBL28602166 | 0.74 | TSHR (0.50) | TSHRTDP1L3MBTL1NAAAALDH1A1 | |
| SCHEMBL8748225 | 0.73 | KCNA3 (0.52) | TSHRTDP1L3MBTL1ALDH1A1LTA4H | |
| SCHEMBL4608747 | 0.73 | TSHR (0.74) | TSHRTDP1L3MBTL1NAAACA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0534257-B1 | Salicylic acid derivatives, the process for preparing the same and the heat-sensitive recording materials comprising thereof | MITSUI TOATSU CHEMICALS (JP) | 1997-03-12 | — | — | EP | disclosed |
| US-5306688-A | Color-forming, electron donating compound and electron accepting compound; storage stability of uncolored portion | MITSUI TOATSU CHEMICALS, INC. (JP) | 1994-04-26 | — | — | US | disclosed |
| EP-0534257-A1 | Salicylic acid derivatives, the process for preparing the same and the heat-sensitive recording materials comprising thereof | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1993-03-31 | — | — | EP | disclosed |