Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30443406 | 0.81 | ALDH1A1 (0.54) | ALDH1A1POLBHSD11B1HPGDSMN1; SMN2 | |
| SCHEMBL19204844 | 0.79 | CHRNB2 (0.47) | POLBHSD11B1 | |
| SCHEMBL11456775 | 0.78 | ALDH1A1 (0.46) | ALDH1A1POLBHSD11B1HPGDSMN1; SMN2 | |
| SCHEMBL6697255 | 0.77 | ALDH1A1 (0.50) | ALDH1A1POLBHSD11B1HPGDSMN1; SMN2 | |
| SCHEMBL28195034 | 0.75 | ALDH1A1 (0.43) | ALDH1A1POLBHSD11B1HPGDSMN1; SMN2 | |
| SCHEMBL30114525 | 0.75 | ALDH1A1 (0.43) | ALDH1A1POLBHSD11B1HPGDSMN1; SMN2 | |
| SCHEMBL6062561 | 0.73 | ALDH1A1 (0.47) | ALDH1A1POLBHSD11B1HPGDSMN1; SMN2 | |
| SCHEMBL26110865 | 0.73 | ALDH1A1 (0.47) | ALDH1A1POLBHSD11B1HPGDSMN1; SMN2 | |
| SCHEMBL31620814 | 0.73 | ALDH1A1 (0.40) | ALDH1A1POLBHSD11B1SMN1; SMN2GAA | |
| SCHEMBL28803368 | 0.72 | ALDH1A1 (0.50) | ALDH1A1POLBHSD11B1HPGDSMN1; 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-2771021-A2 | NMDA RECEPTOR MODULATORS AND USES THEREOF | North Western University (US) | 2014-09-03 | — | — | EP | disclosed |
| WO-2013063120-A2 | NMDA RECEPTOR MODULATORS AND USES THEREOF | NORTHWESTERN UNIVERSITY (US) | 2013-05-02 | — | — | WO | disclosed |