Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | PREP | P48147 | 2/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | CCKBR | P32239 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8246719 | 1.00 | ALDH1A1 (0.52) | ALDH1A1MEN1KMT2ALMNASMN1; SMN2 | |
| SCHEMBL4154315 | 1.00 | ALDH1A1 (0.52) | ALDH1A1MEN1KMT2ALMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4741718 | 0.99 | ALDH1A1 (0.51) | ALDH1A1MEN1KMT2ALMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4741714 | 0.99 | ALDH1A1 (0.51) | ALDH1A1MEN1KMT2ALMNASMN1; SMN2 | |
| SCHEMBL21041192 | 0.96 | ALDH1A1 (0.54) | ALDH1A1MEN1KMT2ALMNASMN1; SMN2 | |
| SCHEMBL28351994 | 0.96 | ALDH1A1 (0.54) | ALDH1A1MEN1KMT2ALMNASMN1; SMN2 | |
| SCHEMBL9075694 | 0.88 | HTT (0.56) | ALDH1A1MEN1KMT2ALMNASMN1; SMN2 | |
| SCHEMBL9075691 | 0.88 | HTT (0.56) | ALDH1A1MEN1KMT2ALMNASMN1; SMN2 | |
| SCHEMBL8696499 | 0.80 | LTA4H (0.42) | ALDH1A1MEN1KMT2AHTR2CHTR2B | |
| SCHEMBL13694086 | 0.80 | POLB (0.53) | ALDH1A1MEN1KMT2AGAAPOLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023086438-A1 | PRODRUGS OF NEUROSTEROID ANALOGS AND USES THEREOF | EMORY UNIVERSITY (US) | 2023-05-19 | — | — | WO | disclosed |
| US-7649011-B2 | Active against cancer proliferation, growth, and metastasis; such as 3,4,5-trimethoxy-n-(2-methyl-3-phenyl-allyl)-n-[2-(1-methyl-pyrrolidin-2-yl)-thyl]-benzamide; side effect reduction | CHEMOCENTRYX, INC. (US) | 2010-01-19 | — | — | US | disclosed |
| WO-2008087611-A2 | PYRROLIDINE- AND PIPERIDINE- BIS-AMIDE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2008-07-24 | — | — | WO | disclosed |