Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIMK1 | P53667 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 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 | |
|---|---|---|---|---|
| SCHEMBL19805136 | 0.73 | LIMK1 (0.71) | LIMK1ALDH1A1KDM4ECYP1A2CYP2C9 | |
| SCHEMBL4901470 | 0.73 | LIMK1 (1.00) | LIMK1ALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL11784886 | 0.69 | LIMK1 (0.55) | LIMK1ALDH1A1KDM4ELMNACYP1A2 | |
| SCHEMBL19805137 | 0.65 | HTR2C (0.62) | LIMK1ALDH1A1KDM4EGAAADORA2A | |
| SCHEMBL11787366 | 0.65 | KMT2A (0.80) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9 | |
| SCHEMBL19805138 | 0.64 | LIMK1 (0.56) | LIMK1ALDH1A1KDM4ELMNAGAA | |
| SCHEMBL23378361 | 0.63 | ALDH1A1 (0.84) | ALDH1A1KDM4ELMNAGAANPC1 | |
| SCHEMBL23378354 | 0.62 | ALDH1A1 (0.75) | ALDH1A1KDM4ELMNAGAANPC1 | |
| SCHEMBL20243238 | 0.62 | KMT2A (0.49) | ALDH1A1LMNACYP1A2CYP3A4GAA | |
| SCHEMBL23657702 | 0.62 | POLB (0.72) | ALDH1A1KDM4ELMNAGAANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018142365-A1 | INHIBITORS OF MICROBIAL BETA-GLUCURONIDASE ENZYMES AND USES THEREOF | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2018-08-09 | — | — | WO | disclosed |