Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | STAT3 | P40763 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL8655543 | 0.80 | MAOB (0.51) | MAOBSMN1; SMN2CYP2C19POLBALDH1A1 | |
| SCHEMBL8619101 | 0.79 | POLB (0.54) | SMN1; SMN2POLBALDH1A1KDM4EESR1 | |
| SCHEMBL8621896 | 0.79 | CHRM2 (0.64) | MAOBPOLBALDH1A1KMT2ACHRM2 | |
| SCHEMBL8621196 | 0.79 | POLB (0.55) | POLBALDH1A1KMT2ACHRM2MEN1 | |
| Hydrochloric Acid SCHEMBL8617419 | 0.78 | POLB (0.57) | POLBALDH1A1KMT2ACHRM2MEN1 | |
| SCHEMBL8614389 | 0.73 | KDM4E (0.59) | SMN1; SMN2CYP2C19ALDH1A1KDM4ENPC1 | |
| SCHEMBL8613527 | 0.72 | SIGMAR1 (0.47) | SMN1; SMN2ALDH1A1KMT2ACHRM2L3MBTL1 | |
| SCHEMBL8613522 | 0.72 | SIGMAR1 (0.47) | SMN1; SMN2ALDH1A1KMT2ACHRM2L3MBTL1 | |
| SCHEMBL28915906 | 0.72 | ALDH1A1 (0.50) | SMN1; SMN2POLBALDH1A1KMT2AL3MBTL1 | |
| Hydrochloric Acid SCHEMBL6127562 | 0.71 | MAOB (0.72) | MAOBSMN1; SMN2CYP2C19POLBALDH1A1 |
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-5767121-A | ANTIINFLAMMATORY AND -ARTHRITIC AGENTS; ANTIPYRETICS; ANALGESICS; ADHESION PROTEIN EXPRESSION AND CYCLOXYGENASE AND 5-LIPOXYGENASE INHIBITORS; IMMUNOSUPPRESSANTS AND -MODULATORS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-06-16 | — | — | US | disclosed |