Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ARG1 | P05089 | 1/20 | 0.39 |
| ▸ | ARG2 | P78540 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 1/20 | 0.37 |
| ▸ | GRM6 | O15303 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9177398 | 0.79 | CYP2D6 (0.42) | MEN1KMT2AALDH1A1KDM4ERAB9A | |
| SCHEMBL20811430 | 0.78 | OPRM1 (0.36) | MEN1KMT2AALDH1A1GAATSHR | |
| SCHEMBL9838655 | 0.77 | ALDH1A1 (0.42) | MEN1KMT2AALDH1A1KDM4ERAB9A | |
| SCHEMBL7509407 | 0.75 | ACHE (0.43) | ALDH1A1GAAFUCA1 | |
| SCHEMBL34473306 | 0.73 | ALDH1A1 (0.43) | MEN1KMT2AALDH1A1GAATSHR | |
| SCHEMBL17512704 | 0.72 | S1PR1 (0.43) | GAAS1PR1S1PR5 | |
| SCHEMBL34473399 | 0.72 | FUCA1 (0.40) | MEN1KMT2AGAATSHRNR1I2 | |
| SCHEMBL20799614 | 0.72 | GRIN2B (0.50) | GAAS1PR1S1PR5LTA4HDRD4 | |
| SCHEMBL3259925 | 0.72 | S1PR1 (0.47) | MEN1KMT2AALDH1A1KDM4EGAA | |
| SCHEMBL4487651 | 0.72 | S1PR1 (0.47) | MEN1KMT2AALDH1A1KDM4EGAA |
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-2019051469-A1 | OCTAHYDROCYCLOPENTA[C]PYRROLE ALLOSTERIC INHIBITORS OF SHP2 | Krouzon Pharmaceuticals, Inc. (US) | 2019-03-14 | — | — | WO | disclosed |