Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KCNA5 | P22460 | 6/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL8303021 | 0.85 | ALDH1A1 (0.47) | ALDH1A1KCNA5MMP1KMT2AEPHX1 | |
| SCHEMBL20577929 | 0.81 | SIGMAR1 (0.53) | ALDH1A1KCNA5KMT2ACA12CA7 | |
| SCHEMBL8119650 | 0.81 | SIGMAR1 (0.53) | ALDH1A1KCNA5KMT2ACA12CA7 | |
| SCHEMBL4851208 | 0.81 | SIGMAR1 (0.53) | ALDH1A1KCNA5KMT2ACA12CA7 | |
| SCHEMBL4848433 | 0.81 | KCNA5 (0.50) | ALDH1A1KCNA5MAPTRAB9AKMT2A | |
| SCHEMBL8306927 | 0.80 | EPHX1 (0.50) | GPR88CYP1A2CYP2D6NPSR1KMT2A | |
| SCHEMBL13707905 | 0.77 | ALDH1A1 (0.53) | ALDH1A1GPR88SMN1; SMN2KMT2AEPHX1 | |
| SCHEMBL13707881 | 0.77 | ALDH1A1 (0.53) | ALDH1A1GPR88SMN1; SMN2KMT2AEPHX1 | |
| SCHEMBL27446150 | 0.76 | EPHX1 (0.54) | ALDH1A1KCNA5MMP1CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL4206593 | 0.76 | ALDH1A1 (0.51) | ALDH1A1GPR88SMN1; SMN2KMT2AEPHX1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004085661-A2 | PROCESS TO CHIRAL BETA-AMINO ACID DERIVATIVES | MERCK & CO., INC (US) | 2004-10-07 | — | — | WO | disclosed |