Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | CES2 | O00748 | 3/20 | 0.46 |
| ▸ | CES1 | P23141 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.42 |
| ▸ | ACHE | P22303 | 3/20 | 0.42 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20118491 | 0.86 | ALDH1A1 (0.52) | ALDH1A1CES2CES1LMNASMN1; SMN2 | |
| SCHEMBL22745485 | 0.84 | ALDH1A1 (0.46) | ALDH1A1CES2CES1LMNASMN1; SMN2 | |
| SCHEMBL5329980 | 0.81 | ALDH1A1 (0.48) | ALDH1A1CES2CES1LMNASMN1; SMN2 | |
| SCHEMBL27620392 | 0.79 | ESR1 (0.48) | ALDH1A1LMNASMN1; SMN2ACHEPKM | |
| SCHEMBL20118718 | 0.77 | ACHE (0.65) | ALDH1A1CES2CES1LMNASMN1; SMN2 | |
| SCHEMBL16933810 | 0.76 | CES1 (0.44) | ALDH1A1CES2CES1LMNATDP1 | |
| SCHEMBL16453535 | 0.76 | CES1 (0.44) | ALDH1A1CES2CES1LMNATDP1 | |
| SCHEMBL10686521 | 0.75 | ALDH1A1 (0.43) | ALDH1A1CES2CES1LMNASMN1; SMN2 | |
| SCHEMBL10686523 | 0.75 | ALDH1A1 (0.43) | ALDH1A1CES2CES1LMNASMN1; SMN2 | |
| SCHEMBL17288381 | 0.75 | ALDH1A1 (0.52) | ALDH1A1CES2CES1LMNASMN1; 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-3529331-B1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2020-10-07 | — | — | EP | disclosed |
| WO-2018077765-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2018-05-03 | — | — | WO | disclosed |