Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | SCD | O00767 | 9/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | TTR | P02766 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL19703193 | 1.00 | MEN1 (0.48) | MEN1KMT2ASMN1; SMN2SCDRAB9A | |
| SCHEMBL2817668 | 0.92 | ALDH1A1 (0.49) | MEN1KMT2ASMN1; SMN2SCDRAB9A | |
| SCHEMBL2817672 | 0.92 | ALDH1A1 (0.49) | MEN1KMT2ASMN1; SMN2SCDRAB9A | |
| SCHEMBL2819255 | 0.92 | ALDH1A1 (0.49) | MEN1KMT2ASMN1; SMN2SCDRAB9A | |
| SCHEMBL19703191 | 0.90 | ALDH1A1 (0.48) | MEN1KMT2ASMN1; SMN2SCDRAB9A | |
| SCHEMBL11965447 | 0.86 | ALDH1A1 (0.48) | MEN1KMT2ASMN1; SMN2SCDRAB9A | |
| SCHEMBL19702748 | 0.85 | MAPT (0.48) | MEN1KMT2ASMN1; SMN2SCDRAB9A | |
| SCHEMBL19703355 | 0.82 | EPHX2 (0.53) | SCDMAPTTRPA1EPHX2TTR | |
| SCHEMBL19703353 | 0.82 | EPHX2 (0.53) | SCDMAPTTRPA1EPHX2TTR | |
| SCHEMBL19703018 | 0.82 | SCD (0.42) | SCDTRPA1EPHX2 |
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-2017214201-A1 | FORMULATIONS FOR SUBSTITUTED 3-PYRROLIDINES, COMPOSITIONS CONTAINING, AND USES OF, SAME | THESAN PHARMACEUTICALS, INC. (US) | 2017-12-14 | — | — | WO | disclosed |