Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | HPGD | P15428 | 3/20 | 0.55 |
| ▸ | BLM | P54132 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | WRN | Q14191 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | GSK3A | P49840 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.42 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | SERPINE1 | P05121 | 3/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL11061556 | 0.82 | TDP1 (0.53) | ALDH1A1HPGDBLMCYP1A2CYP2C19 | |
| SCHEMBL11060412 | 0.81 | ESR1 (0.55) | ALDH1A1HPGDBLMCYP1A2CYP2C19 | |
| SCHEMBL10759118 | 0.78 | ALDH1A1 (0.63) | ALDH1A1HPGDBLMCYP1A2CYP2C19 | |
| SCHEMBL10609594 | 0.76 | ALDH1A1 (0.61) | ALDH1A1HPGDBLMCYP1A2CYP2C19 | |
| SCHEMBL11213409 | 0.74 | ALDH1A1 (0.59) | ALDH1A1HPGDBLMCYP1A2CYP2C19 | |
| SCHEMBL2756782 | 0.74 | ALDH1A1 (0.64) | ALDH1A1HPGDBLMCYP1A2CYP2C19 | |
| SCHEMBL29048036 | 0.74 | ALDH1A1 (0.59) | ALDH1A1HPGDBLMCYP1A2CYP2C19 | |
| SCHEMBL10796910 | 0.71 | ALDH1A1 (0.66) | ALDH1A1HPGDBLMCYP1A2CYP2C19 | |
| SCHEMBL1271868 | 0.71 | ALDH1A1 (1.00) | ALDH1A1HPGDBLMCYP1A2CYP2C19 | |
| SCHEMBL11057729 | 0.71 | ALDH1A1 (0.60) | ALDH1A1HPGDBLMCYP1A2CYP2C19 |
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-0792295-B1 | A CROSS-LINKED RESIN | SHELL INT RESEARCH (NL) | 1999-06-02 | — | — | EP | disclosed |
| EP-0792295-A1 | A CROSS-LINKED RESIN | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1997-09-03 | — | — | EP | disclosed |
| WO-1996015159-A1 | A CROSS-LINKED RESIN | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1996-05-23 | — | — | WO | disclosed |