Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 2/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | RARB | P10826 | 1/20 | 0.37 |
| ▸ | RARG | P13631 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TYR | P14679 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1474183 | 1.00 | GRIN2B (0.40) | GRIN2BSRD5A2HSD11B1KMT2AGAA | |
| SCHEMBL9820902 | 0.85 | KMT2A (0.38) | GRIN2BSRD5A2HSD11B1KMT2AGAA | |
| SCHEMBL1474342 | 0.85 | MAOA (0.45) | SRD5A2 | |
| SCHEMBL10288347 | 0.85 | MAOA (0.45) | SRD5A2 | |
| SCHEMBL10253293 | 0.85 | MAOA (0.45) | SRD5A2 | |
| SCHEMBL1474429 | 0.85 | MAOA (0.45) | SRD5A2 | |
| SCHEMBL10253599 | 0.85 | MAOA (0.45) | SRD5A2 | |
| SCHEMBL1473573 | 0.84 | RORC (0.38) | PDE2A | |
| SCHEMBL29221489 | 0.81 | CCR2 (0.46) | HSD11B1KMT2AALDH1A1HPGDRAB9A | |
| SCHEMBL23375803 | 0.80 | LMNA (0.49) | HSD11B1KMT2AALDH1A1SMN1; SMN2LMNA |
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-0188887-B1 | TERTIARY AMINE COMPOUNDS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-05-02 | — | — | EP | disclosed |
| EP-0188887-A1 | Tertiary amine compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-07-30 | — | — | EP | disclosed |