Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | DHFR | P00374 | 4/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.36 |
| ▸ | COMT | P21964 | 5/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21815682 | 0.85 | SIGMAR1 (0.38) | ALDH1A1TP53MAPK1TSHR | |
| SCHEMBL30292820 | 0.85 | SIGMAR1 (0.38) | ALDH1A1TP53MAPK1TSHR | |
| SCHEMBL30679849 | 0.83 | SIGMAR1 (0.36) | ALDH1A1TP53MAPK1TSHR | |
| SCHEMBL1408252 | 0.83 | SIGMAR1 (0.36) | ALDH1A1TP53MAPK1TSHR | |
| SCHEMBL28423984 | 0.83 | SIGMAR1 (0.36) | ALDH1A1TP53MAPK1TSHR | |
| SCHEMBL29363156 | 0.83 | SIGMAR1 (0.36) | ALDH1A1TP53MAPK1TSHR | |
| SCHEMBL30919258 | 0.83 | SIGMAR1 (0.36) | ALDH1A1TP53MAPK1TSHR | |
| SCHEMBL22028459 | 0.83 | SIGMAR1 (0.36) | ALDH1A1TP53MAPK1TSHR | |
| SCHEMBL31132349 | 0.83 | ALDH1A1 (0.37) | ALDH1A1FAAHHSP90AA1PKMHTT | |
| SCHEMBL28158980 | 0.81 | FAAH (0.40) | ALDH1A1FAAHMGLLTSHR |
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-1635829-A1 | 8-(3-BIARYL)PHENYLQUINOLINE PHOSPHODIESTERASE-4-INHIBITORS | Merck Frosst Canada Ltd. (CA) | 2006-03-22 | — | — | EP | disclosed |
| WO-2004096220-A1 | 8-(3-BIARYL)PHENYLQUINOLINE PHOSPHODIESTERASE-4-INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2004-11-11 | — | — | WO | disclosed |