Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | AXL | P30530 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.42 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | NQO2 | P16083 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30106734 | 0.86 | CYP1A2 (0.57) | CYP1A2ALDH1A1ADRB2MAPTADRA2A | |
| SCHEMBL13347730 | 0.86 | CYP1A2 (0.57) | CYP1A2ALDH1A1ADRB2MAPTADRA2A | |
| SCHEMBL18463725 | 0.78 | CYP1A2 (0.53) | CYP1A2ALDH1A1CYP2A6NQO2KMT2A | |
| SCHEMBL30586445 | 0.78 | NT5E (0.41) | CYP1A2ALDH1A1HSP90AA1HSP90AB1CYP2A6 | |
| SCHEMBL30586444 | 0.76 | NR4A2 (0.46) | CYP1A2ALDH1A1MAPTCYP2A6 | |
| SCHEMBL29612766 | 0.76 | ALDH1A1 (0.46) | CYP1A2ALDH1A1KMT2AESR1HPGD | |
| SCHEMBL29456173 | 0.76 | NT5E (0.54) | CYP1A2ALDH1A1MAPTHSP90AA1HSP90AB1 | |
| SCHEMBL20480626 | 0.76 | ALDH1A1 (0.46) | CYP1A2ALDH1A1KMT2AESR1HPGD | |
| SCHEMBL30503643 | 0.76 | LMNA (0.54) | ALDH1A1MAPTADRA2AHSP90AA1HSP90AB1 | |
| SCHEMBL3715000 | 0.76 | NT5E (0.54) | CYP1A2ALDH1A1MAPTHSP90AA1HSP90AB1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103209963-A | 2-quinolinyl-acetic acid derivatives as HIV antiviral compounds | GILEAD SCIENCES INC | 2013-07-17 | — | — | CN | disclosed |