Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSG | P08311 | 2/20 | 0.48 |
| ▸ | CMA1 | P23946 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | HTR1D | P28221 | 1/20 | 0.42 |
| ▸ | HTR1B | P28222 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5727052 | 0.84 | HSD17B10 (0.49) | CTSGCMA1TSHRKCNH2ALDH1A1 | |
| SCHEMBL2878333 | 0.84 | ITGB3 (0.48) | CYP1A2CYP3A4HTR1ACYP2D6CYP2C9 | |
| SCHEMBL27670559 | 0.81 | ALDH1A1 (0.46) | CTSGCMA1TSHRHTR7KCNH2 | |
| SCHEMBL27765009 | 0.79 | ALOX5 (0.52) | CMA1CYP1A2CYP3A4HTR1ACYP2D6 | |
| SCHEMBL4577325 | 0.79 | ADRB1 (0.55) | CTSGCMA1SLC7A5CYP1A2CYP3A4 | |
| SCHEMBL13853443 | 0.78 | DDB1 (0.51) | CYP1A2CYP3A4HTR1ACYP2D6CYP2C9 | |
| SCHEMBL132460 | 0.77 | GAA (0.55) | CTSGCMA1TSHRCYP1A2CYP2D6 | |
| SCHEMBL15709650 | 0.77 | PRMT6 (0.56) | CTSGCMA1TSHRSLC7A5ALDH1A1 | |
| SCHEMBL2885321 | 0.77 | HTR1A (0.48) | CYP1A2CYP3A4HTR1ACYP2D6CYP2C9 | |
| SCHEMBL15709874 | 0.77 | MAPT (0.53) | CTSGCMA1TSHRSLC7A5ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-100441571-C | Quinoline and quinazoline derivatives having affinity for 5HT1-type receptors | GLAXO GROUP LTD (GB) | 2008-12-10 | — | — | CN | disclosed |
| CN-1852896-A | Quinoline and quinazoline derivatives having affinity for 5HT 1-type receptors | GLAXO GROUP LTD (GB) | 2006-10-25 | — | — | CN | disclosed |