Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 2/20 | 0.59 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8729488 | 0.86 | CHRM5 (0.79) | CHRM5CHRM3ALDH1A1BIRC2SIGMAR1 | |
| SCHEMBL255190 | 0.77 | CHRM5 (1.00) | CHRM5CHRM3ALDH1A1SIGMAR1GAA | |
| SCHEMBL6963350 | 0.72 | GAA (0.63) | CHRM5CHRM3ALDH1A1ALOX15TSHR | |
| Morpholine SCHEMBL8725832 | 0.72 | MEN1 (0.44) | CHRM5CHRM3GAAKDM4ESMN1; SMN2 | |
| SCHEMBL209616 | 0.72 | GAA (0.63) | CHRM5CHRM3ALDH1A1ALOX15TSHR | |
| SCHEMBL255444 | 0.71 | HSD17B10 (0.69) | ALDH1A1ALOX15TSHRHSD17B10GAA | |
| SCHEMBL2073211 | 0.71 | HSD17B10 (0.69) | ALDH1A1ALOX15TSHRHSD17B10GAA | |
| SCHEMBL7720951 | 0.71 | CHRM5 (0.64) | CHRM5CHRM3ALDH1A1ALOX15TSHR | |
| SCHEMBL254801 | 0.71 | GAA (0.67) | CHRM5CHRM3ALDH1A1ALOX15TSHR | |
| Hydrochloric Acid SCHEMBL27822626 | 0.71 | GAA (0.61) | CHRM5CHRM3ALDH1A1ALOX15TSHR |
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-0973936-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS | ELI LILLY AND COMPANY (US) | 2000-01-26 | — | — | EP | disclosed |
| WO-1998046786-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS | ELI LILLY AND COMPANY (US) | 1998-10-22 | — | — | WO | disclosed |