Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | COMT | P21964 | 7/20 | 0.36 |
| ▸ | USP2 | O75604 | 5/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.36 |
| ▸ | TP53 | P04637 | 3/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28286321 | 0.85 | HPGD (0.39) | ALDH1A1PKMUSP2SMN1; SMN2HPGD | |
| SCHEMBL4148701 | 0.83 | HPGD (0.38) | ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL4071380 | 0.83 | HPGD (0.38) | ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL6578601 | 0.70 | HSD17B3 (0.35) | ALDH1A1CYP1A2CYP2D6HIF1ACYP3A4 | |
| SCHEMBL26058299 | 0.68 | ALDH1A1 (0.48) | HTR1AHTR7ALDH1A1FAAHHSP90AA1 | |
| SCHEMBL5572755 | 0.68 | ALDH1A1 (0.34) | ALDH1A1TSHR | |
| SCHEMBL6576570 | 0.67 | SLC6A4 (0.36) | HTR1A | |
| SCHEMBL5350419 | 0.66 | PTGER1 (0.37) | HTR1AHTR7ALDH1A1FAAHHSP90AA1 | |
| SCHEMBL6649618 | 0.65 | PTGER1 (0.36) | HTR1AHTR7ALDH1A1FAAHHSP90AA1 | |
| SCHEMBL181031 | 0.65 | GRIN1 (0.41) | ALDH1A1SMN1; SMN2 |
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 |