Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | AGXT | P21549 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Trimethylammonium SCHEMBL27788339 | 0.97 | IDO1 (0.44) | IDO1CYP1A2CYP2A6TAAR1ACHE | |
| SCHEMBL45443 | 0.92 | — | — | |
| SCHEMBL3130646 | 0.89 | IDO1 (0.50) | IDO1CYP1A2CYP2A6TAAR1ACHE | |
| Trimethylammonium SCHEMBL10702662 | 0.89 | IDO1 (0.38) | IDO1CYP1A2CYP2A6TAAR1ACHE | |
| Methoxymethane SCHEMBL27696982 | 0.84 | AGXT (0.46) | IDO1CYP1A2CYP2A6TAAR1ACHE | |
| SCHEMBL8993222 | 0.84 | IDO1 (0.46) | IDO1CYP1A2CYP2A6TAAR1ACHE | |
| SCHEMBL9023183 | 0.84 | IDO1 (0.46) | IDO1CYP1A2CYP2A6TAAR1ACHE | |
| SCHEMBL5617928 | 0.83 | ALDH1A1 (0.42) | IDO1CYP1A2CYP2A6TAAR1ACHE | |
| SCHEMBL28574743 | 0.82 | RAB9A (0.52) | IDO1TAAR1ACHEALDH1A1TP53 | |
| Alcohol SCHEMBL28452318 | 0.82 | IDO1 (0.44) | IDO1CYP1A2CYP2A6TAAR1ACHE |
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 |
|---|---|---|---|---|---|---|---|
| JP-3206056-A | — | — | None | — | — | JP | disclosed |
| JP-H03206056-A | PRODUCTION OF DICHLORO-(2,2)-PARACYCLOPHANE | DAISAN KASEI KK | 1991-09-09 | — | — | JP | disclosed |
| EP-0294651-B1 | PROCESS FOR THE PREPARATION OF (2,2)-PARACYCLOPHANE | UNION CARBIDE CORPORATION (US) | 1991-02-27 | — | — | EP | disclosed |
| EP-0294651-A1 | Process for the preparation of (2,2)-paracyclophane | UNION CARBIDE CORPORATION (US) | 1988-12-14 | — | — | EP | disclosed |