Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | PNMT | P11086 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SI | P14410 | 1/20 | 0.33 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.33 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | IDO1 | P14902 | 3/20 | 0.31 |
| ▸ | TDO2 | P48775 | 3/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6506736 | 0.80 | PNMT (0.48) | ALDH1A1TDP1MEN1KMT2ACYP3A4 | |
| SCHEMBL7987419 | 0.79 | TSHR (0.42) | ALDH1A1TDP1MEN1KMT2ACYP3A4 | |
| SCHEMBL5504509 | 0.75 | IDO1 (0.41) | ALDH1A1TDP1MEN1KMT2ACYP3A4 | |
| SCHEMBL16600334 | 0.74 | — | — | |
| SCHEMBL20482066 | 0.74 | — | — | |
| SCHEMBL11505568 | 0.74 | CYP1A2 (0.50) | ALDH1A1CYP3A4CYP1A2CYP2D6NFKB1 | |
| SCHEMBL30051168 | 0.71 | CYP1A2 (0.52) | ALDH1A1CYP3A4CYP1A2CYP2D6NFKB1 | |
| SCHEMBL1170186 | 0.71 | CYP1A2 (0.52) | ALDH1A1CYP3A4CYP1A2CYP2D6NFKB1 | |
| SCHEMBL3786158 | 0.71 | CYP1A2 (0.52) | ALDH1A1CYP3A4CYP1A2CYP2D6NFKB1 | |
| Formic Acid SCHEMBL28207672 | 0.70 | ALDH1A1 (0.48) | ALDH1A1TDP1MEN1KMT2ACYP3A4 |
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 |