Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ANPEP | P15144 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21246364 | 0.91 | CYP3A4 (0.41) | THRBCYP3A4CYP2C9CYP2C19LMNA | |
| SCHEMBL21246428 | 0.89 | LMNA (0.48) | ALDH1A1LMNAANPEPKMT2AMAPT | |
| SCHEMBL21246362 | 0.87 | LMNA (0.46) | THRBALDH1A1LMNAANPEPMAPT | |
| SCHEMBL21246427 | 0.86 | SLC1A2 (0.47) | CYP3A4ALDH1A1LMNAKMT2ASMN1; SMN2 | |
| SCHEMBL21246341 | 0.86 | LMNA (0.48) | CYP3A4CYP2C9CYP2C19ALDH1A1LMNA | |
| SCHEMBL21246363 | 0.85 | HTT (0.46) | THRBALDH1A1LMNAKMT2AHTT | |
| SCHEMBL21246339 | 0.84 | PTPN1 (0.40) | LMNAHTT | |
| SCHEMBL21246342 | 0.83 | CYP3A4 (0.43) | CYP3A4ALDH1A1LMNAKMT2AMEN1 | |
| SCHEMBL21246365 | 0.81 | TSHR (0.46) | CYP3A4ALDH1A1ANPEPKMT2AHTT | |
| SCHEMBL21246426 | 0.81 | GAA (0.41) | ALDH1A1ANPEPKMT2AMAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019152688-A1 | SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF | APTINYX INC. (US) | 2019-08-08 | — | — | WO | disclosed |