Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | PNMT | P11086 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3668717 | 0.85 | CYP2D6 (0.33) | TSHRCYP2D6CYP1A2CYP3A4NFKB1 | |
| SCHEMBL3672875 | 0.79 | TSHR (0.32) | TSHR | |
| SCHEMBL14035785 | 0.78 | CYP2D6 (0.46) | TSHRCYP2D6CYP1A2CYP3A4NFKB1 | |
| SCHEMBL3680994 | 0.78 | CYP2D6 (0.46) | TSHRCYP2D6CYP1A2CYP3A4NFKB1 | |
| SCHEMBL3672924 | 0.77 | TSHR (0.39) | TSHRTAAR1SLC6A2LMNAALDH1A1 | |
| SCHEMBL944816 | 0.76 | TSHR (0.64) | TSHRTAAR1LMNAKDM4E | |
| SCHEMBL3670346 | 0.76 | TSHR (0.32) | TSHRSIGMAR1 | |
| SCHEMBL15780126 | 0.72 | TAAR1 (0.54) | CYP2D6TAAR1LMNAALDH1A1ADRA2A | |
| SCHEMBL30569591 | 0.72 | TAAR1 (0.54) | CYP2D6TAAR1LMNAALDH1A1ADRA2A | |
| SCHEMBL10455676 | 0.72 | TSHR (0.39) | TSHRCYP1A2LMNAALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1426392-B1 | COMPOSITION FOR OPTICAL MATERIAL | MITSUBISHI GAS CHEMICAL CO (JP) | 2010-02-24 | — | — | EP | disclosed |
| US-6960640-B2 | Composition for optical material | MITSUBISHI GAS CHEMICAL CO., LTD. (JP) | 2005-11-01 | — | — | US | disclosed |
| US-20040147708-A1 | Composition for optical material | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2004-07-29 | — | — | US | disclosed |
| EP-1426392-A1 | COMPOSITION FOR OPTICAL MATERIAL | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2004-06-09 | — | — | EP | disclosed |