Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | CCR6 | P51684 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | SPR | P35270 | 1/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | UBE2M | P61081 | 1/20 | 0.42 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | CCR3 | P51677 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22735458 | 0.89 | HCRTR1 (0.48) | ALDH1A1SMN1; SMN2SPRKMT2AEPHX2 | |
| SCHEMBL23716678 | 0.88 | SPR (0.48) | SPRKMT2AEPHX2 | |
| SCHEMBL23734860 | 0.86 | HTT (0.48) | ALDH1A1HTTSPRKMT2ALMNA | |
| SCHEMBL23734969 | 0.82 | HTT (0.51) | HSD11B1HTTMGLLKMT2AEPHX2 | |
| SCHEMBL22735588 | 0.82 | HTT (0.51) | HSD11B1HTTMGLLKMT2AEPHX2 | |
| SCHEMBL596167 | 0.80 | OPRK1 (0.44) | SPRKMT2AEPHX2 | |
| SCHEMBL596166 | 0.80 | OPRK1 (0.44) | SPRKMT2AEPHX2 | |
| SCHEMBL23734850 | 0.80 | SMN1; SMN2 (0.48) | ALDH1A1HTTHSD17B10SMN1; SMN2SPR | |
| SCHEMBL8248136 | 0.77 | USP30 (0.56) | KMT2A | |
| SCHEMBL1032633 | 0.77 | USP30 (0.56) | KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3594202-B1 | SUBSTITUTED PYRROLIDINE COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICALS CO (JP) | 2021-08-11 | — | — | EP | disclosed |