Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11954752 | 0.90 | LDHA (0.59) | LDHAALDH1A1NPC1LMNAHTT | |
| SCHEMBL4364658 | 0.84 | PKM (0.48) | LDHAALDH1A1HTTALOX15ALOX12 | |
| SCHEMBL4364652 | 0.84 | PKM (0.48) | LDHAALDH1A1HTTALOX15ALOX12 | |
| SCHEMBL17721714 | 0.83 | ALDH1A1 (0.45) | ALDH1A1LMNAHTTMEN1KMT2A | |
| SCHEMBL10449424 | 0.81 | LDHA (0.59) | LDHAALDH1A1NPC1LMNAHTT | |
| SCHEMBL6441639 | 0.81 | ALDH1A1 (0.67) | LDHAALDH1A1NPC1LMNAHTT | |
| SCHEMBL3291118 | 0.81 | ALDH1A1 (0.67) | LDHAALDH1A1NPC1LMNAHTT | |
| SCHEMBL9356853 | 0.80 | LDHA (0.66) | LDHAALDH1A1NPC1LMNAHTT | |
| SCHEMBL9444655 | 0.80 | LDHA (0.66) | LDHAALDH1A1NPC1LMNAHTT | |
| Hydrochloric Acid SCHEMBL3268062 | 0.79 | ALDH1A1 (0.70) | LDHAALDH1A1NPC1LMNAHTT |
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 |
|---|---|---|---|---|---|---|---|
| CN-103827088-A | Derivatives of 1-phenyl-2-pyridinyl alkyl alcohols as phosphodiesterase inhibitors | CHIESI FARMA SPA | 2014-05-28 | — | — | CN | disclosed |