Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | REV1 | Q9UBZ9 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL7429705 | 0.91 | SMN1; SMN2 (0.45) | SMN1; SMN2KMT2ACYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL7890839 | 0.91 | ALDH1A1 (0.45) | MMP13KMT2ACYP2C19ALDH1A1LMNA | |
| SCHEMBL8250085 | 0.90 | REV1 (0.45) | SMN1; SMN2KMT2ACYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL7420721 | 0.88 | POLB (0.53) | MMP13SLC22A8SMN1; SMN2KMT2ACYP1A2 | |
| SCHEMBL7887105 | 0.88 | SMN1; SMN2 (0.43) | MMP13SLC22A8SMN1; SMN2KMT2ACYP1A2 | |
| SCHEMBL7886925 | 0.84 | POLB (0.52) | SMN1; SMN2KMT2AALDH1A1LMNAREV1 | |
| SCHEMBL7881605 | 0.84 | MAPT (0.52) | SMN1; SMN2KMT2AALDH1A1LMNAMAPT | |
| SCHEMBL7421194 | 0.82 | LMNA (0.45) | KMT2ALMNAREV1MEN1 | |
| SCHEMBL8207368 | 0.82 | REV1 (0.47) | SMN1; SMN2KMT2ACYP2C19ALDH1A1LMNA | |
| Bicarbonate SCHEMBL7890842 | 0.81 | ALDH1A1 (0.50) | SMN1; SMN2KMT2ACYP1A2CYP2C19ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6143777-A | ENZYME INHIBITORS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2000-11-07 | — | — | US | disclosed |
| EP-0934301-A1 | AMINOTHIOPHENE CARBOXYLIC ACID AMIDES AND THE USE THEREOF AS PHOSPHODIESTERASE INHIBITORS | MERCK PATENT GmbH (DE) | 1999-08-11 | — | — | EP | disclosed |
| WO-1998016521-A1 | AMINOTHIOPHENE CARBOXYLIC ACID AMIDES AND THE USE THEREOF AS PHOSPHODIESTERASE INHIBITORS | MERCK PATENT GMBH (DE) | 1998-04-23 | — | — | WO | disclosed |