Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNK3 | O14649 | 1/20 | 1.00 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 1.00 |
| ▸ | P2RY12 | Q9H244 | 4/20 | 0.46 |
| ▸ | MTHFD2 | P13995 | 2/20 | 0.43 |
| ▸ | CFTR | P13569 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | PTGDR | Q13258 | 2/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30664070 | 1.00 | KCNK3 (1.00) | KCNK3KCNK9P2RY12MTHFD2CFTR | |
| SCHEMBL2407040 | 0.93 | KCNK3 (0.87) | KCNK3KCNK9P2RY12MTHFD2CFTR | |
| SCHEMBL2410478 | 0.85 | KCNK3 (0.73) | KCNK3KCNK9P2RY12MTHFD2CFTR | |
| SCHEMBL2410232 | 0.84 | KCNK3 (0.72) | KCNK3KCNK9P2RY12MTHFD2CFTR | |
| SCHEMBL2407042 | 0.81 | KCNK3 (0.68) | KCNK3KCNK9P2RY12MTHFD2CFTR | |
| SCHEMBL12321174 | 0.80 | KCNK3 (0.67) | KCNK3KCNK9P2RY12MTHFD2CFTR | |
| SCHEMBL2406140 | 0.79 | KCNK3 (0.66) | KCNK3KCNK9P2RY12MTHFD2CFTR | |
| SCHEMBL2407799 | 0.79 | KCNK3 (0.65) | KCNK3KCNK9POLBHTR2B | |
| SCHEMBL2471575 | 0.79 | KCNK3 (0.65) | KCNK3KCNK9P2RY12MTHFD2CFTR | |
| SCHEMBL12320879 | 0.76 | KCNK3 (0.61) | KCNK3KCNK9P2RY12MTHFD2CFTR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011106276-A1 | TASK CHANNEL ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-09-01 | — | — | WO | disclosed |
| WO-2011103715-A1 | TASK CHANNEL ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-09-01 | — | — | WO | disclosed |
| WO-2011103715-A1 | TASK CHANNEL ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-09-01 | — | — | WO | disclosed |