Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 6/20 | 0.43 |
| ▸ | PTGES | O14684 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | STAT3 | P40763 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | MITF | O75030 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9877122 | 0.85 | KCNH2 (0.36) | ALDH1A1KDM4EALOX5PTGESMAPT | |
| SCHEMBL6904311 | 0.81 | KMT2A (0.39) | ALDH1A1KDM4EALOX5PTGESMAPT | |
| SCHEMBL7018451 | 0.80 | ALOX5 (0.49) | ALDH1A1KDM4EALOX5PTGESMAPT | |
| SCHEMBL6904411 | 0.77 | KDM4E (0.40) | ALDH1A1KDM4EALOX5PTGESMAPT | |
| SCHEMBL11022178 | 0.76 | NPC1 (0.43) | ALDH1A1KDM4EMAPTKMT2ARXFP1 | |
| SCHEMBL9635290 | 0.74 | CYP1A2 (0.66) | ALDH1A1KDM4EMAPTKMT2ACYP1A2 | |
| SCHEMBL29376920 | 0.74 | CYP1A2 (0.66) | ALDH1A1KDM4EMAPTKMT2ACYP1A2 | |
| SCHEMBL5536009 | 0.72 | RAB9A (0.42) | ALDH1A1KDM4EALOX5PTGESCYP1A2 | |
| SCHEMBL4961457 | 0.71 | GABRA1 (0.54) | ALDH1A1KDM4EALOX5MAPTKMT2A | |
| SCHEMBL1999399 | 0.70 | NR1H2 (0.53) | ALDH1A1KDM4EMAPTCYP3A4GAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1401829-A4 | NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS | MICROBIOTIX INC (US) | 2004-10-27 | — | — | EP | disclosed |
| EP-1401829-A1 | NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS | Microbiotix, Inc. (US) | 2004-03-31 | — | — | EP | disclosed |
| WO-2002102792-A1 | NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS | MICROBIOTIX, INC. (US) | 2002-12-27 | — | — | WO | disclosed |