Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.46 |
| ▸ | GPR52 | Q9Y2T5 | 6/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | AGXT | P21549 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1876701 | 0.88 | TAAR1 (0.57) | TAAR1GPR52ALDH1A1KMT2ACA12 | |
| SCHEMBL30035347 | 0.88 | TAAR1 (0.57) | TAAR1GPR52ALDH1A1KMT2ACA12 | |
| SCHEMBL1876703 | 0.88 | TAAR1 (0.57) | TAAR1GPR52ALDH1A1KMT2ACA12 | |
| SCHEMBL9010966 | 0.88 | TAAR1 (0.57) | TAAR1GPR52ALDH1A1KMT2ACA12 | |
| SCHEMBL105975 | 0.84 | CYP1A2 (0.48) | TAAR1GPR52TDP1L3MBTL1ALDH1A1 | |
| SCHEMBL713023 | 0.84 | CYP1A2 (0.48) | TAAR1GPR52TDP1L3MBTL1ALDH1A1 | |
| P-Xylene SCHEMBL11767119 | 0.84 | CYP1A2 (0.48) | TAAR1GPR52TDP1L3MBTL1ALDH1A1 | |
| SCHEMBL9010959 | 0.83 | GPR52 (0.44) | TAAR1GPR52ALDH1A1CA12CA1 | |
| SCHEMBL3936081 | 0.80 | TAAR1 (0.48) | TAAR1GPR52ALDH1A1KMT2ACA12 | |
| SCHEMBL21901329 | 0.79 | CYP1A2 (0.43) | TAAR1GPR52TDP1L3MBTL1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0554704-B1 | Process for producing dimethyl naphthalene | MITSUBISHI GAS CHEMICAL CO (JP) | 1996-11-13 | — | — | EP | claimed |