Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.39 |
| ▸ | CES1 | P23141 | 3/20 | 0.39 |
| ▸ | G6PD | P11413 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5354555 | 0.98 | CES2 (0.41) | CES2CES1G6PDALDH1A1ALOX15 | |
| SCHEMBL2932978 | 0.95 | CES2 (0.39) | CES2CES1G6PDALDH1A1ALOX15 | |
| SCHEMBL11859134 | 0.82 | G6PD (0.48) | CES2CES1G6PDALDH1A1ALOX15 | |
| SCHEMBL5042526 | 0.79 | CES2 (0.45) | CES2CES1G6PDALDH1A1ALOX15 | |
| SCHEMBL9153083 | 0.79 | G6PD (0.50) | CES2CES1G6PDALDH1A1ALOX15 | |
| SCHEMBL11423428 | 0.79 | CES2 (0.35) | CES2CES1G6PDALDH1A1NPC1 | |
| SCHEMBL31236603 | 0.76 | CES2 (0.37) | CES2CES1G6PDALDH1A1ALOX15 | |
| SCHEMBL9151925 | 0.72 | G6PD (0.44) | CES2CES1G6PDALDH1A1ALOX15 | |
| SCHEMBL7520267 | 0.71 | G6PD (0.39) | G6PDALDH1A1NPC1RAB9AGAA | |
| SCHEMBL2932976 | 0.71 | HTR2A (0.35) | CES2CES1G6PDALDH1A1ALOX15 |
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-2229358-A1 | INDOLES AND THEIR THERAPEUTIC USE | Pulmagen Therapeutics (Asthma) Limited (GB) | 2010-09-22 | — | — | EP | disclosed |
| WO-2009077728-A1 | INDOLES AND THEIR THERAPEUTIC USE | ARGENTA DISCOVERY LIMITED (GB) | 2009-06-25 | — | — | WO | disclosed |