Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL28108408 | 0.81 | CES2 (0.56) | CES2MEN1KMT2AALDH1A1NPSR1 | |
| SCHEMBL19089736 | 0.79 | TP53 (0.49) | MEN1KMT2AALDH1A1NPSR1GAA | |
| SCHEMBL9111870 | 0.75 | CES2 (0.55) | CES2MEN1KMT2AALDH1A1NPSR1 | |
| SCHEMBL9111866 | 0.75 | CES2 (0.55) | CES2MEN1KMT2AALDH1A1NPSR1 | |
| SCHEMBL19592309 | 0.74 | CES2 (0.58) | CES2MEN1KMT2AALDH1A1NPSR1 | |
| SCHEMBL20806278 | 0.73 | CES2 (0.56) | CES2MEN1KMT2AALDH1A1NPSR1 | |
| SCHEMBL6703582 | 0.71 | NR4A1 (0.66) | CES2MEN1KMT2AALDH1A1NPSR1 | |
| SCHEMBL6703585 | 0.71 | NR4A1 (0.66) | CES2MEN1KMT2AALDH1A1NPSR1 | |
| SCHEMBL7961946 | 0.70 | CES2 (0.57) | CES2MEN1KMT2AALDH1A1NPSR1 | |
| SCHEMBL7961951 | 0.70 | CES2 (0.57) | CES2MEN1KMT2AALDH1A1NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-10018619-B2 | Compounds and method of identifying, synthesizing, optimizing and profiling protein modulators | HMI Medical Innovations, LLC (US) | 2018-07-10 | — | — | US | disclosed |
| US-20170191986-A1 | Compounds and Method of Identifying, Synthesizing, Optimizing and Profiling Protein Modulators | HMI Medical Innovations, LLC | 2017-07-06 | — | — | US | disclosed |