Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.37 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.37 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.37 |
| ▸ | DCLRE1B | Q9H816 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.36 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 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 | |
|---|---|---|---|---|
| SCHEMBL4459641 | 0.80 | ALOX5 (0.48) | TAAR1ALOX5DHFRMAOBIKBKE | |
| SCHEMBL3569291 | 0.76 | ALOX5 (0.41) | TAAR1ALOX5DHFRMAOBIKBKE | |
| SCHEMBL23078878 | 0.74 | TAAR1 (0.40) | TAAR1ALOX5DHFRMAOBDCLRE1B | |
| SCHEMBL4458179 | 0.72 | ALOX5 (0.48) | TAAR1ALOX5DHFRMAOBIKBKE | |
| SCHEMBL30387433 | 0.71 | ALOX5 (0.44) | TAAR1ALOX5DHFRMAOBIKBKE | |
| SCHEMBL4453356 | 0.71 | ALOX5 (0.44) | TAAR1ALOX5DHFRMAOBIKBKE | |
| SCHEMBL10987297 | 0.69 | TAAR1 (0.55) | TAAR1ALOX5MAOBESR2TSHR | |
| SCHEMBL4821275 | 0.69 | GABRP (0.40) | TAAR1ALOX5DHFRMAOBDCLRE1B | |
| SCHEMBL4452902 | 0.69 | ALOX5 (0.45) | TAAR1ALOX5DHFRMAOBIKBKE | |
| SCHEMBL31222672 | 0.68 | ALOX5 (0.65) | TAAR1ALOX5MAOBESR2NOTUM |
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-101541331-A | Novel macrolides and ketolides with antimicrobial activity | WOCKHARDT RESEARCH CENTER (IN) | 2009-09-23 | — | — | CN | disclosed |