Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYSLTR1 | Q9Y271 | 5/20 | 0.39 |
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.39 |
| ▸ | PDE5A | O76074 | 5/20 | 0.37 |
| ▸ | PDE1A | P54750 | 2/20 | 0.37 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.37 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9869424 | 0.76 | KCNH2 (0.54) | CYSLTR1GPBAR1PDE5ANPC1KDM4E | |
| SCHEMBL9868813 | 0.75 | ALOX5AP (0.39) | CYSLTR1GPBAR1PDE5APDE1APDE1B | |
| SCHEMBL9869721 | 0.65 | TSHR (0.50) | CYSLTR1GPBAR1NPC1MEN1ALDH1A1 | |
| SCHEMBL12020460 | 0.61 | GRM5 (0.57) | GPBAR1NPC1KDM4EMEN1ALDH1A1 | |
| SCHEMBL9869319 | 0.61 | POLB (0.41) | GPBAR1KDM4EALDH1A1LMNATP53 | |
| SCHEMBL11188667 | 0.60 | MRGPRX4 (0.78) | CYSLTR1GPBAR1PDE5APDE1APDE1B | |
| SCHEMBL12020409 | 0.59 | GRM5 (0.61) | NPC1KDM4ELMNATP53MAPT | |
| SCHEMBL9870267 | 0.59 | KDM4E (0.40) | NPC1KDM4EALDH1A1LMNATP53 | |
| SCHEMBL1368181 | 0.59 | TP53 (0.63) | NPC1KDM4EALDH1A1TP53RAB9A | |
| SCHEMBL10664344 | 0.59 | KDM4E (0.61) | CYSLTR1GPBAR1NPC1KDM4EMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4997947-A | Forming 6-substituted pyridine-2,3-dicarboxylic esters followed by reacting with aminoalkanecarboxylic acid amide; herbicides, plant growth regulators | CIBA-GEIGY CORPORATION (US) | 1991-03-05 | — | — | US | disclosed |
| EP-0296109-A2 | Derivatives of 2-(imidazolin-2-yl)nicotinic acid | CIBA-GEIGY AG (CH) | 1988-12-21 | — | — | EP | disclosed |