Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | AR | P10275 | 2/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.45 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MPO | P05164 | 5/20 | 0.43 |
| ▸ | HTR1D | P28221 | 3/20 | 0.41 |
| ▸ | HTR1B | P28222 | 1/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.39 |
| ▸ | CDK9 | P50750 | 1/20 | 0.39 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.39 |
| ▸ | GABRP | O00591 | 1/20 | 0.37 |
| ▸ | GABRD | O14764 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 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 | |
|---|---|---|---|---|
| SCHEMBL2539100 | 0.78 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2 | |
| SCHEMBL18311437 | 0.75 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2 | |
| SCHEMBL5403384 | 0.74 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2 | |
| SCHEMBL11692889 | 0.74 | ALDH1A1 (0.54) | ALDH1A1CYP1A2CYP2C19ARCYP2A6 | |
| SCHEMBL29935857 | 0.72 | CAPN1 (0.59) | ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2 | |
| SCHEMBL208051 | 0.72 | CAPN1 (0.59) | ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2 | |
| SCHEMBL1094048 | 0.72 | ALDH1A1 (0.63) | ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2 | |
| SCHEMBL8257892 | 0.71 | CYP1A2 (0.67) | ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2 | |
| SCHEMBL29954011 | 0.71 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2 | |
| SCHEMBL5402406 | 0.71 | ALDH1A1 (0.54) | ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1379239-A2 | N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR | ELI LILLY AND COMPANY (US) | 2004-01-14 | — | — | EP | disclosed |
| WO-2002078693-A2 | N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR | ELI LILLY AND COMPANY (US) | 2002-10-10 | — | — | WO | disclosed |