Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GNAI3 | P08754 | 2/20 | 0.44 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.44 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10479591 | 1.00 | GNAI3 (0.44) | GNAI3GNAO1GNAI1PKMHTT | |
| SCHEMBL10479607 | 0.98 | GNAI3 (0.47) | GNAI3GNAO1GNAI1PKMHTT | |
| SCHEMBL10479610 | 0.98 | GNAI3 (0.47) | GNAI3GNAO1GNAI1PKMHTT | |
| SCHEMBL10479841 | 0.95 | CYP2C9 (0.43) | GNAI3GNAO1GNAI1PKMHTT | |
| SCHEMBL10479817 | 0.87 | CYP2C9 (0.39) | GNAI3GNAO1GNAI1PKMHTT | |
| SCHEMBL10479812 | 0.87 | CYP2C9 (0.39) | GNAI3GNAO1GNAI1PKMHTT | |
| SCHEMBL6141447 | 0.87 | CES2 (0.50) | MEN1KMT2AABL1RIN1CES2 | |
| SCHEMBL13891946 | 0.85 | CES2 (0.41) | PKMMEN1KMT2AABL1RIN1 | |
| SCHEMBL6571414 | 0.85 | CES2 (0.52) | MEN1KMT2ACES2CES1NAAA | |
| SCHEMBL3885339 | 0.85 | CES2 (0.52) | MEN1KMT2ACES2CES1NAAA |
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-4871470-A | LIQUID CRYSTALS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1989-10-03 | — | — | US | disclosed |
| WO-1987005293-A2 | CYCLOHEXANE DERIVATES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1987-09-11 | — | — | WO | disclosed |