Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 3/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.30 |
| ▸ | LMNA | P02545 | 2/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.30 |
| ▸ | NPC1 | O15118 | 2/20 | 0.30 |
| ▸ | RAB9A | P51151 | 2/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | THPO | P40225 | 1/20 | 0.30 |
| ▸ | PPM1B | O75688 | 1/20 | 0.30 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.30 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4612224 | 0.79 | — | — | |
| SCHEMBL11307797 | 0.77 | GPBAR1 (0.33) | CCR5TSHRTP53CYP3A4MAPK1 | |
| SCHEMBL14275665 | 0.76 | KDM4E (0.30) | KDM4E | |
| SCHEMBL8943039 | 0.75 | KDM4E (0.37) | KDM4ELMNASMN1; SMN2NPC1 | |
| Hydrochloric Acid SCHEMBL9068147 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL9068149 | 0.74 | — | — | |
| SCHEMBL6356580 | 0.74 | KDM4E (0.31) | KDM4E | |
| SCHEMBL8942935 | 0.72 | SIRT2 (0.32) | — | |
| SCHEMBL8943285 | 0.72 | SIRT2 (0.32) | — | |
| SCHEMBL8943459 | 0.71 | L3MBTL1 (0.36) | KDM4ESMN1; SMN2NPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0467721-B1 | Optically active compound having a delta- valerolactone ring and liquid crystal composition containing same | MITSUBISHI RAYON CO (JP) | 1996-03-27 | — | — | EP | disclosed |
| US-5480580-A | COMPOUNDS FOR VISUAL AIDS WITH GOOD STABILITY | MITSUBISHI RAYON COMPANY LTD. (JP) | 1996-01-02 | — | — | US | disclosed |
| EP-0467721-A1 | Optically active compound having a delta- valerolactone ring and liquid crystal composition containing same | MITSUBISHI RAYON CO., LTD (JP) | 1992-01-22 | — | — | EP | disclosed |