Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.43 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7568531 | 0.88 | GABRA1 (0.50) | GABRA1GABRB2HTR1ATAAR1 | |
| SCHEMBL4007056 | 0.86 | ALDH1A1 (0.40) | CYP1A2LMNAALDH1A1CA1CA2 | |
| SCHEMBL4004862 | 0.84 | ALDH1A1 (0.39) | ESR1CYP1A2LMNAALDH1A1CA1 | |
| SCHEMBL3258673 | 0.79 | GABRA1 (0.48) | GABRA1GABRB2NLRP3CYP3A4CYP1A2 | |
| SCHEMBL169506 | 0.79 | GABRA1 (0.48) | GABRA1GABRB2NLRP3CYP3A4CYP1A2 | |
| SCHEMBL294361 | 0.78 | LMNA (0.50) | LMNAPTGS2ALDH1A1CA2TP53 | |
| SCHEMBL4886256 | 0.78 | GABRA1 (0.48) | GABRA1GABRB2NLRP3CYP3A4CYP1A2 | |
| Ammonia Solution, Strong SCHEMBL7055042 | 0.77 | GABRA1 (0.46) | GABRA1GABRB2NLRP3CYP3A4CYP1A2 | |
| SCHEMBL15122404 | 0.77 | GABRA1 (0.46) | GABRA1GABRB2NLRP3CYP3A4CYP1A2 | |
| Ammonia Solution, Strong SCHEMBL150658 | 0.77 | GABRA1 (0.46) | GABRA1GABRB2NLRP3CYP3A4CYP1A2 |
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-1237844-A1 | PROCESS FOR THE PREPARATION OF SECONDARY AND TERTIARY AMINES | Celgro (US) | 2002-09-11 | — | — | EP | claimed |
| WO-2001044162-A1 | PROCESS FOR THE PREPARATION OF SECONDARY AND TERTIARY AMINES | CELGRO (US) | 2001-06-21 | — | — | WO | claimed |
| US-6107521-A | Process for the preparation of secondary amines | CELGRO (US) | 2000-08-22 | — | — | US | claimed |
| US-6107521-A | Process for the preparation of secondary amines | CELGRO (US) | 2000-08-22 | — | — | US | disclosed |