Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.58 |
| ▸ | POLB | P06746 | 3/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.51 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA4 | P22748 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL10881160 | 0.87 | KDM4E (0.63) | KDM4EPOLBMEN1KMT2AALDH1A1 | |
| SCHEMBL29484286 | 0.85 | KDM4E (0.69) | KDM4EPOLBMEN1KMT2AALDH1A1 | |
| SCHEMBL1599701 | 0.85 | KDM4E (0.69) | KDM4EPOLBMEN1KMT2AALDH1A1 | |
| SCHEMBL5635596 | 0.83 | ALDH1A1 (0.58) | KDM4EPOLBMEN1KMT2AALDH1A1 | |
| SCHEMBL5972208 | 0.82 | KDM4E (0.75) | KDM4EPOLBMEN1KMT2AALDH1A1 | |
| SCHEMBL31606732 | 0.82 | KDM4E (0.75) | KDM4EPOLBMEN1KMT2AALDH1A1 | |
| SCHEMBL20883584 | 0.81 | POLB (0.56) | KDM4EPOLBMEN1KMT2AALDH1A1 | |
| SCHEMBL21224862 | 0.81 | CACNA1G (0.57) | KDM4EPOLBMEN1KMT2AALDH1A1 | |
| SCHEMBL4913843 | 0.80 | KDM4E (0.63) | KDM4EPOLBMEN1KMT2AALDH1A1 | |
| SCHEMBL1034882 | 0.80 | CA2 (0.69) | KDM4EPOLBMEN1KMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019152685-A1 | SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND METHODS OF USING SAME | APTINYX INC. (US) | 2019-08-08 | — | — | WO | disclosed |
| WO-2019152685-A1 | SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND METHODS OF USING SAME | APTINYX INC. (US) | 2019-08-08 | — | — | WO | disclosed |