Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | AGXT | P21549 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8972988 | 0.78 | CHRNA7 (0.41) | CHRNA7ACHETDP1ALDH1A1ALOX5 | |
| SCHEMBL953630 | 0.78 | CHRNA7 (0.41) | CYP1A2CHRNA7ACHETDP1ALDH1A1 | |
| SCHEMBL29239958 | 0.76 | TAAR1 (0.58) | TAAR1CYP1A2TDP1ALDH1A1 | |
| SCHEMBL28493299 | 0.76 | CHRNA7 (0.39) | CYP1A2CHRNA7ACHETDP1ALDH1A1 | |
| SCHEMBL25735106 | 0.76 | CHRNA7 (0.39) | CHRNA7ACHETDP1ALDH1A1CA7 | |
| SCHEMBL1976304 | 0.75 | TAAR1 (0.59) | TAAR1CYP1A2HTR2A | |
| SCHEMBL3667006 | 0.75 | CYP1A2 (0.42) | TAAR1CYP1A2CYP2A6CHRNA7ACHE | |
| SCHEMBL516439 | 0.75 | TAAR1 (0.59) | TAAR1CYP1A2CYP2A6CHRNA7ACHE | |
| SCHEMBL9789948 | 0.74 | CHRNA7 (0.38) | CYP1A2CHRNA7ACHETDP1ALDH1A1 | |
| SCHEMBL8011990 | 0.74 | TAAR1 (0.65) | TAAR1CYP1A2CYP2A6CHRNA7ACHE |
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 |
|---|---|---|---|---|---|---|---|
| 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 |