Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.33 |
| ▸ | MLYCD | O95822 | 2/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | RXRB | P28702 | 1/20 | 0.33 |
| ▸ | RXRG | P48443 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL7428560 | 0.93 | ALDH1A1 (0.33) | ALDH1A1MLYCDRXRARXRBRXRG | |
| Trifluoroacetic Acid SCHEMBL7433400 | 0.92 | ALDH1A1 (0.37) | ALDH1A1RXRARXRBRXRGADRA2C | |
| Hydrochloric Acid SCHEMBL7427799 | 0.89 | MAPK14 (0.36) | ALDH1A1CXCR4RXRARXRBRXRG | |
| SCHEMBL7131862 | 0.86 | RXRA (0.36) | ALDH1A1RXRARXRBRXRGADRA2C | |
| Trifluoroacetic Acid SCHEMBL7426179 | 0.86 | F2 (0.36) | ADRA2COPRM1OPRD1OPRK1 | |
| Trifluoroacetic Acid SCHEMBL4809174 | 0.86 | RXRA (0.37) | ALDH1A1RXRARXRBRXRGOPRM1 | |
| Trifluoroacetic Acid SCHEMBL7128376 | 0.85 | TRPM8 (0.37) | ALDH1A1OPRM1OPRD1SMYD3 | |
| Hydrochloric Acid SCHEMBL7128388 | 0.85 | RXRA (0.36) | ALDH1A1RXRARXRBRXRGADRA2C | |
| Trifluoroacetic Acid SCHEMBL5213198 | 0.84 | NPC1 (0.36) | ALDH1A1RXRARXRBRXRGOPRM1 | |
| Trifluoroacetic Acid SCHEMBL5212669 | 0.84 | RXRA (0.37) | ALDH1A1RXRARXRBRXRGOPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1240154-A1 | SERINE PROTEASE INHIBITORS | Tularik Limited (GB) | 2002-09-18 | — | — | EP | disclosed |
| WO-2001044226-A1 | SERINE PROTEASE INHIBITORS | TULARIK LIMITED (GB) | 2001-06-21 | — | — | WO | disclosed |